| Spatial | Dihedral | Chains | Representative |
|---|---|---|---|
| DFGin | BLAminus | 9 | AF-O14920-K1A |
| DFGin | BLBminus | 1 | 8OMVB |
| DFGin | None | 2 | 4E3CA |
| DFGinter | None | 1 | 8OMVE |
| None | None | 1 | 8OMVA |
| 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-O14920-K1A | -1.0 | Active | DFGin | BLAminus | in-in | in-in | No_ligand | No_ligand | 7 - 316 | None | None | 0 |
| 4E3CB | 3.98 | Inactive | DFGin | BLAminus | in-in | in-out | No_ligand | No_ligand | 16 - 665 | S177E,S181E | None | 0 |
| 4E3CC | 3.98 | Inactive | DFGin | BLAminus | in-in | in-out | No_ligand | No_ligand | 16 - 665 | S177E,S181E | None | 0 |
| 4E3CD | 3.98 | Inactive | DFGin | BLAminus | in-in | in-out | No_ligand | No_ligand | 16 - 665 | S177E,S181E | None | 0 |
| 4E3CF | 3.98 | Inactive | DFGin | BLAminus | in-in | in-out | No_ligand | No_ligand | 16 - 665 | S177E,S181E | None | 0 |
| 8OMVC | 4.16 | Inactive | DFGin | BLAminus | in-out | out-out | No_ligand | No_ligand | 12 - 664 | S177E,S181E | None | 7 |
| 8OMVD | 4.16 | Inactive | DFGin | BLAminus | in-out | out-out | No_ligand | No_ligand | 6 - 665 | S177E,S181E | None | 8 |
| 4KIKA | 2.83 | None | DFGin | BLAminus | in-in | none-out | KSA | Type1 | 9 - 663 | None | X257 | 10 |
| 4KIKB | 2.83 | Active | DFGin | BLAminus | in-in | in-in | KSA | Type1 | 2 - 663 | None | X177,X181 | 3 |
| 8OMVB | 4.16 | Inactive | DFGin | BLBminus | in-out | out-out | No_ligand | No_ligand | 8 - 664 | S177E,S181E | None | 9 |
| 4E3CA | 3.98 | Inactive | DFGin | None | in-in | in-out | No_ligand | No_ligand | 16 - 665 | S177E,S181E | None | 0 |
| 4E3CE | 3.98 | Inactive | DFGin | None | in-in | in-out | No_ligand | No_ligand | 16 - 665 | S177E,S181E | None | 0 |
| 8OMVE | 4.16 | Inactive | DFGinter | None | in-out | out-out | No_ligand | No_ligand | 9 - 643 | S177E,S181E | None | 3 |
| 8OMVA | 4.16 | Inactive | None | None | in-in | out-out | No_ligand | No_ligand | 8 - 666 | S177E,S181E | None | 13 |
| Spatial | Dihedral | Chains | Representative |
|---|---|---|---|
| DFGin | BLAminus | 9 | AF-O14920-K1A |
| DFGin | BLBminus | 1 | 8OMVB |
| DFGin | None | 2 | 4E3CA |
| DFGinter | None | 1 | 8OMVE |
| None | None | 1 | 8OMVA |
| 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 | IKKB_HUMAN | AF-O14920-K1A | -1.0 | Active | DFGin | BLAminus | in-in | in-in | No_ligand | No_ligand | 7 - 316 | None | None | 0 |
| Homo sapiens | IKKB_HUMAN | 4E3CB | 3.98 | Inactive | DFGin | BLAminus | in-in | in-out | No_ligand | No_ligand | 16 - 665 | S177E,S181E | None | 0 |
| Homo sapiens | IKKB_HUMAN | 4E3CC | 3.98 | Inactive | DFGin | BLAminus | in-in | in-out | No_ligand | No_ligand | 16 - 665 | S177E,S181E | None | 0 |
| Homo sapiens | IKKB_HUMAN | 4E3CD | 3.98 | Inactive | DFGin | BLAminus | in-in | in-out | No_ligand | No_ligand | 16 - 665 | S177E,S181E | None | 0 |
| Homo sapiens | IKKB_HUMAN | 4E3CF | 3.98 | Inactive | DFGin | BLAminus | in-in | in-out | No_ligand | No_ligand | 16 - 665 | S177E,S181E | None | 0 |
| Homo sapiens | IKKB_HUMAN | 8OMVC | 4.16 | Inactive | DFGin | BLAminus | in-out | out-out | No_ligand | No_ligand | 12 - 664 | S177E,S181E | None | 7 |
| Homo sapiens | IKKB_HUMAN | 8OMVD | 4.16 | Inactive | DFGin | BLAminus | in-out | out-out | No_ligand | No_ligand | 6 - 665 | S177E,S181E | None | 8 |
| Homo sapiens | IKKB_HUMAN | 4KIKA | 2.83 | None | DFGin | BLAminus | in-in | none-out | KSA | Type1 | 9 - 663 | None | X257 | 10 |
| Homo sapiens | IKKB_HUMAN | 4KIKB | 2.83 | Active | DFGin | BLAminus | in-in | in-in | KSA | Type1 | 2 - 663 | None | X177,X181 | 3 |
| Homo sapiens | IKKB_HUMAN | 8OMVB | 4.16 | Inactive | DFGin | BLBminus | in-out | out-out | No_ligand | No_ligand | 8 - 664 | S177E,S181E | None | 9 |
| Homo sapiens | IKKB_HUMAN | 4E3CA | 3.98 | Inactive | DFGin | None | in-in | in-out | No_ligand | No_ligand | 16 - 665 | S177E,S181E | None | 0 |
| Homo sapiens | IKKB_HUMAN | 4E3CE | 3.98 | Inactive | DFGin | None | in-in | in-out | No_ligand | No_ligand | 16 - 665 | S177E,S181E | None | 0 |
| Homo sapiens | IKKB_HUMAN | 8OMVE | 4.16 | Inactive | DFGinter | None | in-out | out-out | No_ligand | No_ligand | 9 - 643 | S177E,S181E | None | 3 |
| Homo sapiens | IKKB_HUMAN | 8OMVA | 4.16 | Inactive | None | None | in-in | out-out | No_ligand | No_ligand | 8 - 666 | S177E,S181E | None | 13 |