PDB | Resolution | Activity Label | Spatial Label | Dihedral Label | Chelix-SaltBridge | ActLoopNT-ActLoopCT | Ligand | Type | Residues in structure | Mutation | Phosphorylation | Unresolved residues in A-loop |
---|---|---|---|---|---|---|---|---|---|---|---|---|
AF-Q08881-K1A | -1.0 | Active | DFGin | BLAminus | in-in | in-in | No_ligand | No_ligand | 355 - 620 | None | None | 0 |
3QGYB | 2.1 | None | DFGin | BLAminus | in-in | none-none | L7O | Type1 | 357 - 616 | None | None | 16 |
3MIYB | 1.67 | Inactive | DFGin | BLAplus | in-out | none-none | B49 | Type1 | 357 - 619 | C477S,E614A,E617A | None | 18 |
4MF1A | 2.113 | Inactive | DFGin | BLAplus | in-out | none-none | 29Y | Type1 | 357 - 619 | C477S,E614A,E617A | None | 17 |
4MF1B | 2.113 | Inactive | DFGin | BLAplus | in-out | out-out | 29Y | Type1 | 357 - 619 | C477S,E614A,E617A | None | 14 |
4RFMA | 2.1 | Inactive | DFGin | BLAplus | out-out | out-out | 3P6 | Type1 | 357 - 618 | C477S,E614A,E617A | None | 14 |
4KIOA | 2.18 | Inactive | DFGin | BLAplus | out-out | none-none | G5K | Type1 | 357 - 619 | Y512E | None | 16 |
4KIOB | 2.18 | Inactive | DFGin | BLAplus | out-out | none-none | G5K | Type1 | 357 - 619 | Y512E | None | 16 |
4KIOD | 2.18 | Inactive | DFGin | BLAplus | out-out | none-none | G6K | Type1 | 357 - 618 | Y512E | None | 17 |
4L7SA | 2.03 | Inactive | DFGin | BLAplus | in-out | none-none | G7K | Type1 | 357 - 620 | Y512E | None | 16 |
4L7SB | 2.03 | Inactive | DFGin | BLAplus | in-out | none-none | G7K | Type1 | 357 - 620 | Y512E | None | 16 |
4MF0A | 2.67 | Inactive | DFGin | BLAplus | out-out | none-none | 29Z | Type1 | 357 - 619 | Y512E | None | 16 |
4PP9A | 2.58 | Inactive | DFGin | BLAplus | in-out | none-none | 2VT | Type1 | 357 - 619 | Y512E | None | 18 |
4PP9B | 2.58 | Inactive | DFGin | BLAplus | in-out | none-none | 2VT | Type1 | 357 - 619 | Y512E | None | 17 |
4QD6A | 2.45 | Inactive | DFGin | BLAplus | out-out | none-none | 30T | Type1 | 357 - 619 | Y512E | None | 16 |
3QGWA | 2.1 | Inactive | DFGin | BLAplus | out-out | none-out | PQC | Type1 | 358 - 618 | None | None | 17 |
3QGYA | 2.1 | Inactive | DFGin | BLAplus | out-out | none-none | PQC | Type1 | 357 - 618 | None | None | 18 |
3V5JA | 2.59 | Inactive | DFGin | BLAplus | out-none | none-none | 0F2 | Type1 | 357 - 618 | None | None | 18 |
3V5LA | 1.86 | Inactive | DFGin | BLAplus | out-none | none-none | 0G1 | Type1 | 357 - 616 | None | None | 16 |
3V5LB | 1.86 | Inactive | DFGin | BLAplus | out-out | none-none | 0G1 | Type1 | 357 - 619 | None | None | 16 |
3V5LC | 1.86 | Inactive | DFGin | BLAplus | in-out | none-out | 0G1 | Type1 | 357 - 616 | None | None | 15 |
3V5LD | 1.86 | Inactive | DFGin | BLAplus | out-out | none-out | 0G1 | Type1 | 357 - 619 | None | None | 16 |
3V8TA | 2.0 | Inactive | DFGin | BLAplus | out-out | none-none | 477 | Type1 | 357 - 618 | None | None | 17 |
3V8TB | 2.0 | Inactive | DFGin | BLAplus | out-none | none-none | 477 | Type1 | 357 - 619 | None | None | 16 |
3V8WA | 2.27 | Inactive | DFGin | BLAplus | out-none | none-none | 0G2 | Type1 | 357 - 619 | None | None | 18 |
3V8WB | 2.27 | Inactive | DFGin | BLAplus | out-none | none-none | 0G2 | Type1 | 357 - 619 | None | None | 18 |
4KIOC | 2.18 | Inactive | DFGin | BLAplus | out-out | none-out | G6K G5K | Type1 Type1 | 357 - 620 | Y512E | None | 15 |
1SNXA | 3.2 | Inactive | DFGin | BLBplus | out-out | none-none | No_ligand | No_ligand | 357 - 619 | None | None | 18 |
1SNXB | 3.2 | Inactive | DFGin | BLBplus | out-out | none-none | No_ligand | No_ligand | 357 - 619 | None | None | 18 |
3MJ2A | 1.9 | Inactive | DFGin | BLBplus | out-out | out-out | MJG | Type1 | 357 - 615 | C477S,E614A,E617A | None | 0 |
4PPAA | 2.67 | Inactive | DFGin | BLBplus | out-out | none-none | 2VU | Type1 | 357 - 619 | Y512E | None | 18 |
4PPAB | 2.67 | Inactive | DFGin | BLBplus | out-out | none-none | 2VU | Type1 | 357 - 619 | Y512E | None | 18 |
4PPBA | 2.82 | Inactive | DFGin | BLBplus | out-out | none-none | 2VV | Type1 | 357 - 619 | Y512E | None | 18 |
4PPBB | 2.82 | Inactive | DFGin | BLBplus | out-out | none-none | 2VV | Type1 | 357 - 619 | Y512E | None | 18 |
4QD6B | 2.45 | Inactive | DFGin | BLBplus | out-out | none-none | 30T | Type1 | 357 - 619 | Y512E | None | 16 |
1SM2A | 2.3 | Inactive | DFGin | BLBplus | out-out | none-none | STU | Type1 | 357 - 619 | None | None | 18 |
1SNUA | 2.5 | Inactive | DFGin | BLBplus | out-out | none-none | STU | Type1 | 357 - 619 | None | None | 18 |
4HCTA | 1.48 | Inactive | DFGin | BLBplus | out-out | out-out | 18R | Type1 | 354 - 618 | K596R | None | 0 |
4HCUA | 1.43 | Inactive | DFGin | BLBplus | out-out | out-out | 13L | Type1 | 356 - 618 | K596R | None | 0 |
4HCVA | 1.48 | Inactive | DFGin | BLBplus | out-out | out-out | 13J | Type1 | 356 - 618 | K596R | None | 0 |
3T9TA | 1.65 | Inactive | DFGin | BLBplus | out-out | out-out | IAQ | Type1 | 356 - 618 | F435T,K596R | None | 0 |
4M0YA | 1.7 | Inactive | DFGin | BLBplus | out-out | out-out | M0Y M0Y | Type1 Type3 | 356 - 618 | None | None | 0 |
4M14A | 1.55 | Inactive | DFGin | BLBplus | out-out | out-out | QWS QWS | Type1 Type3 | 355 - 617 | None | None | 0 |
4M12A | 2.15 | Inactive | DFGin | BLBplus | out-out | out-out | 1YZ | Type3 | 355 - 618 | None | None | 0 |
4M13A | 1.85 | Inactive | DFGin | BLBplus | out-out | out-out | 1E0 | Type3 | 355 - 618 | None | None | 0 |
4M0ZA | 2.0 | Inactive | DFGin | BLBplus | out-out | out-out | M0Z M0Z | Type3 Type1 | 355 - 618 | None | None | 0 |
4M15A | 1.52 | Inactive | DFGin | BLBplus | out-out | out-out | QWS ADP | Type3 Type1 | 355 - 617 | None | None | 0 |
3MIYA | 1.67 | Inactive | DFGin | None | in-out | none-none | B49 | Type1 | 357 - 619 | C477S,E614A,E617A | None | 19 |
3MJ1A | 1.72 | Inactive | DFGin | None | out-out | none-none | 614 | Type1 | 357 - 615 | C477S,E614A,E617A | None | 19 |
4PQNA | 1.71 | Inactive | DFGin | None | in-out | none-out | 2W6 | Type1 | 357 - 615 | C477S,E614A,E617A | None | 17 |
4MF0B | 2.67 | Inactive | DFGin | None | out-out | none-none | 29Z | Type1 | 357 - 619 | Y512E | None | 19 |
4PPCA | 2.95 | Inactive | DFGin | None | out-out | none-none | 2VW | Type1 | 357 - 619 | Y512E | None | 19 |
4PPCB | 2.95 | Inactive | DFGin | None | out-out | none-none | 2VW | Type1 | 357 - 619 | Y512E | None | 19 |
3QGWB | 2.1 | Inactive | DFGin | None | in-out | none-none | L7A | Type1 | 358 - 616 | None | None | 19 |
1SM2B | 2.3 | Inactive | DFGin | None | out-out | none-none | STU | Type1 | 358 - 617 | None | None | 19 |
1SNUB | 2.5 | Inactive | DFGin | None | out-out | none-none | STU | Type1 | 358 - 617 | None | None | 19 |
3V5JB | 2.59 | Inactive | DFGin | None | out-none | none-none | 0F2 | Type1 | 357 - 620 | None | None | 19 |
Spatial | Dihedral | Chains | Representative |
---|---|---|---|
DFGin | BLAminus | 2 | AF-Q08881-K1A |
DFGin | BLAplus | 25 | 4RFMA |
DFGin | BLBplus | 20 | 4HCUA |
DFGin | None | 10 | 4PQNA |
Organism | UniprotID | PDB | Resolution | Activity Label | Spatial Label | Dihedral Label | Chelix-SaltBridge | ActLoopNT-ActLoopCT | Ligand | Type | Residues in structure | Mutation | Phosphorylation | Unresolved residues in A-loop |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Homo sapiens | ITK_HUMAN | AF-Q08881-K1A | -1.0 | Active | DFGin | BLAminus | in-in | in-in | No_ligand | No_ligand | 355 - 620 | None | None | 0 |
Homo sapiens | ITK_HUMAN | 3QGYB | 2.1 | None | DFGin | BLAminus | in-in | none-none | L7O | Type1 | 357 - 616 | None | None | 16 |
Homo sapiens | ITK_HUMAN | 3MIYB | 1.67 | Inactive | DFGin | BLAplus | in-out | none-none | B49 | Type1 | 357 - 619 | C477S,E614A,E617A | None | 18 |
Homo sapiens | ITK_HUMAN | 4MF1A | 2.113 | Inactive | DFGin | BLAplus | in-out | none-none | 29Y | Type1 | 357 - 619 | C477S,E614A,E617A | None | 17 |
Homo sapiens | ITK_HUMAN | 4MF1B | 2.113 | Inactive | DFGin | BLAplus | in-out | out-out | 29Y | Type1 | 357 - 619 | C477S,E614A,E617A | None | 14 |
Homo sapiens | ITK_HUMAN | 4RFMA | 2.1 | Inactive | DFGin | BLAplus | out-out | out-out | 3P6 | Type1 | 357 - 618 | C477S,E614A,E617A | None | 14 |
Homo sapiens | ITK_HUMAN | 4KIOA | 2.18 | Inactive | DFGin | BLAplus | out-out | none-none | G5K | Type1 | 357 - 619 | Y512E | None | 16 |
Homo sapiens | ITK_HUMAN | 4KIOB | 2.18 | Inactive | DFGin | BLAplus | out-out | none-none | G5K | Type1 | 357 - 619 | Y512E | None | 16 |
Homo sapiens | ITK_HUMAN | 4KIOD | 2.18 | Inactive | DFGin | BLAplus | out-out | none-none | G6K | Type1 | 357 - 618 | Y512E | None | 17 |
Homo sapiens | ITK_HUMAN | 4L7SA | 2.03 | Inactive | DFGin | BLAplus | in-out | none-none | G7K | Type1 | 357 - 620 | Y512E | None | 16 |
Homo sapiens | ITK_HUMAN | 4L7SB | 2.03 | Inactive | DFGin | BLAplus | in-out | none-none | G7K | Type1 | 357 - 620 | Y512E | None | 16 |
Homo sapiens | ITK_HUMAN | 4MF0A | 2.67 | Inactive | DFGin | BLAplus | out-out | none-none | 29Z | Type1 | 357 - 619 | Y512E | None | 16 |
Homo sapiens | ITK_HUMAN | 4PP9A | 2.58 | Inactive | DFGin | BLAplus | in-out | none-none | 2VT | Type1 | 357 - 619 | Y512E | None | 18 |
Homo sapiens | ITK_HUMAN | 4PP9B | 2.58 | Inactive | DFGin | BLAplus | in-out | none-none | 2VT | Type1 | 357 - 619 | Y512E | None | 17 |
Homo sapiens | ITK_HUMAN | 4QD6A | 2.45 | Inactive | DFGin | BLAplus | out-out | none-none | 30T | Type1 | 357 - 619 | Y512E | None | 16 |
Homo sapiens | ITK_HUMAN | 3QGWA | 2.1 | Inactive | DFGin | BLAplus | out-out | none-out | PQC | Type1 | 358 - 618 | None | None | 17 |
Homo sapiens | ITK_HUMAN | 3QGYA | 2.1 | Inactive | DFGin | BLAplus | out-out | none-none | PQC | Type1 | 357 - 618 | None | None | 18 |
Homo sapiens | ITK_HUMAN | 3V5JA | 2.59 | Inactive | DFGin | BLAplus | out-none | none-none | 0F2 | Type1 | 357 - 618 | None | None | 18 |
Homo sapiens | ITK_HUMAN | 3V5LA | 1.86 | Inactive | DFGin | BLAplus | out-none | none-none | 0G1 | Type1 | 357 - 616 | None | None | 16 |
Homo sapiens | ITK_HUMAN | 3V5LB | 1.86 | Inactive | DFGin | BLAplus | out-out | none-none | 0G1 | Type1 | 357 - 619 | None | None | 16 |
Homo sapiens | ITK_HUMAN | 3V5LC | 1.86 | Inactive | DFGin | BLAplus | in-out | none-out | 0G1 | Type1 | 357 - 616 | None | None | 15 |
Homo sapiens | ITK_HUMAN | 3V5LD | 1.86 | Inactive | DFGin | BLAplus | out-out | none-out | 0G1 | Type1 | 357 - 619 | None | None | 16 |
Homo sapiens | ITK_HUMAN | 3V8TA | 2.0 | Inactive | DFGin | BLAplus | out-out | none-none | 477 | Type1 | 357 - 618 | None | None | 17 |
Homo sapiens | ITK_HUMAN | 3V8TB | 2.0 | Inactive | DFGin | BLAplus | out-none | none-none | 477 | Type1 | 357 - 619 | None | None | 16 |
Homo sapiens | ITK_HUMAN | 3V8WA | 2.27 | Inactive | DFGin | BLAplus | out-none | none-none | 0G2 | Type1 | 357 - 619 | None | None | 18 |
Homo sapiens | ITK_HUMAN | 3V8WB | 2.27 | Inactive | DFGin | BLAplus | out-none | none-none | 0G2 | Type1 | 357 - 619 | None | None | 18 |
Homo sapiens | ITK_HUMAN | 4KIOC | 2.18 | Inactive | DFGin | BLAplus | out-out | none-out | G6K G5K | Type1 Type1 | 357 - 620 | Y512E | None | 15 |
Homo sapiens | ITK_HUMAN | 1SNXA | 3.2 | Inactive | DFGin | BLBplus | out-out | none-none | No_ligand | No_ligand | 357 - 619 | None | None | 18 |
Homo sapiens | ITK_HUMAN | 1SNXB | 3.2 | Inactive | DFGin | BLBplus | out-out | none-none | No_ligand | No_ligand | 357 - 619 | None | None | 18 |
Homo sapiens | ITK_HUMAN | 3MJ2A | 1.9 | Inactive | DFGin | BLBplus | out-out | out-out | MJG | Type1 | 357 - 615 | C477S,E614A,E617A | None | 0 |
Homo sapiens | ITK_HUMAN | 4PPAA | 2.67 | Inactive | DFGin | BLBplus | out-out | none-none | 2VU | Type1 | 357 - 619 | Y512E | None | 18 |
Homo sapiens | ITK_HUMAN | 4PPAB | 2.67 | Inactive | DFGin | BLBplus | out-out | none-none | 2VU | Type1 | 357 - 619 | Y512E | None | 18 |
Homo sapiens | ITK_HUMAN | 4PPBA | 2.82 | Inactive | DFGin | BLBplus | out-out | none-none | 2VV | Type1 | 357 - 619 | Y512E | None | 18 |
Homo sapiens | ITK_HUMAN | 4PPBB | 2.82 | Inactive | DFGin | BLBplus | out-out | none-none | 2VV | Type1 | 357 - 619 | Y512E | None | 18 |
Homo sapiens | ITK_HUMAN | 4QD6B | 2.45 | Inactive | DFGin | BLBplus | out-out | none-none | 30T | Type1 | 357 - 619 | Y512E | None | 16 |
Homo sapiens | ITK_HUMAN | 1SM2A | 2.3 | Inactive | DFGin | BLBplus | out-out | none-none | STU | Type1 | 357 - 619 | None | None | 18 |
Homo sapiens | ITK_HUMAN | 1SNUA | 2.5 | Inactive | DFGin | BLBplus | out-out | none-none | STU | Type1 | 357 - 619 | None | None | 18 |
Homo sapiens | ITK_HUMAN | 4HCTA | 1.48 | Inactive | DFGin | BLBplus | out-out | out-out | 18R | Type1 | 354 - 618 | K596R | None | 0 |
Homo sapiens | ITK_HUMAN | 4HCUA | 1.43 | Inactive | DFGin | BLBplus | out-out | out-out | 13L | Type1 | 356 - 618 | K596R | None | 0 |
Homo sapiens | ITK_HUMAN | 4HCVA | 1.48 | Inactive | DFGin | BLBplus | out-out | out-out | 13J | Type1 | 356 - 618 | K596R | None | 0 |
Homo sapiens | ITK_HUMAN | 3T9TA | 1.65 | Inactive | DFGin | BLBplus | out-out | out-out | IAQ | Type1 | 356 - 618 | F435T,K596R | None | 0 |
Homo sapiens | ITK_HUMAN | 4M0YA | 1.7 | Inactive | DFGin | BLBplus | out-out | out-out | M0Y M0Y | Type1 Type3 | 356 - 618 | None | None | 0 |
Homo sapiens | ITK_HUMAN | 4M14A | 1.55 | Inactive | DFGin | BLBplus | out-out | out-out | QWS QWS | Type1 Type3 | 355 - 617 | None | None | 0 |
Homo sapiens | ITK_HUMAN | 4M12A | 2.15 | Inactive | DFGin | BLBplus | out-out | out-out | 1YZ | Type3 | 355 - 618 | None | None | 0 |
Homo sapiens | ITK_HUMAN | 4M13A | 1.85 | Inactive | DFGin | BLBplus | out-out | out-out | 1E0 | Type3 | 355 - 618 | None | None | 0 |
Homo sapiens | ITK_HUMAN | 4M0ZA | 2.0 | Inactive | DFGin | BLBplus | out-out | out-out | M0Z M0Z | Type3 Type1 | 355 - 618 | None | None | 0 |
Homo sapiens | ITK_HUMAN | 4M15A | 1.52 | Inactive | DFGin | BLBplus | out-out | out-out | QWS ADP | Type3 Type1 | 355 - 617 | None | None | 0 |
Homo sapiens | ITK_HUMAN | 3MIYA | 1.67 | Inactive | DFGin | None | in-out | none-none | B49 | Type1 | 357 - 619 | C477S,E614A,E617A | None | 19 |
Homo sapiens | ITK_HUMAN | 3MJ1A | 1.72 | Inactive | DFGin | None | out-out | none-none | 614 | Type1 | 357 - 615 | C477S,E614A,E617A | None | 19 |
Homo sapiens | ITK_HUMAN | 4PQNA | 1.71 | Inactive | DFGin | None | in-out | none-out | 2W6 | Type1 | 357 - 615 | C477S,E614A,E617A | None | 17 |
Homo sapiens | ITK_HUMAN | 4MF0B | 2.67 | Inactive | DFGin | None | out-out | none-none | 29Z | Type1 | 357 - 619 | Y512E | None | 19 |
Homo sapiens | ITK_HUMAN | 4PPCA | 2.95 | Inactive | DFGin | None | out-out | none-none | 2VW | Type1 | 357 - 619 | Y512E | None | 19 |
Homo sapiens | ITK_HUMAN | 4PPCB | 2.95 | Inactive | DFGin | None | out-out | none-none | 2VW | Type1 | 357 - 619 | Y512E | None | 19 |
Homo sapiens | ITK_HUMAN | 3QGWB | 2.1 | Inactive | DFGin | None | in-out | none-none | L7A | Type1 | 358 - 616 | None | None | 19 |
Homo sapiens | ITK_HUMAN | 1SM2B | 2.3 | Inactive | DFGin | None | out-out | none-none | STU | Type1 | 358 - 617 | None | None | 19 |
Homo sapiens | ITK_HUMAN | 1SNUB | 2.5 | Inactive | DFGin | None | out-out | none-none | STU | Type1 | 358 - 617 | None | None | 19 |
Homo sapiens | ITK_HUMAN | 3V5JB | 2.59 | Inactive | DFGin | None | out-none | none-none | 0F2 | Type1 | 357 - 620 | None | None | 19 |