MolNFT v1 · #76094 · protein

Crystal structure of inhibitor of kappa B kinase beta

3QA8 · MGC80376 protein: “Crystal structure of inhibitor of kappa B kinase beta”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #76094 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3QA8
Type: protein
Length: 4,814 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MGC80376 protein
UniProt: Q6INT1
Pockets: 20 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	MGC80376 protein	protein	622	42% helix, 6% strand	Q6INT1
G, H	MGC80376 protein	protein	541	39% helix, 7% strand	Q6INT1

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1158	0.82	0.83	102	empty
2	481	0.81	0.88	69	empty
3	588	0.79	0.85	61	empty
4	661	0.78	0.83	94	empty
5	438	0.78	0.86	68	empty

Interfaces

13 interfaces between chains.

A–B · 1723 Å² buried · 17 hydrogen bonds · protein-protein
E–F · 1715 Å² buried · 13 hydrogen bonds · protein-protein
C–D · 1708 Å² buried · 16 hydrogen bonds · protein-protein
C–E · 933 Å² buried · 4 hydrogen bonds · protein-protein
B–C · 526 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3QA8 · Crystal Structure of inhibitor of kappa B kinase beta · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q6INT1
Elsewhere: RCSB PDB 3QA8 · PDBe 3QA8 · UniProt Q6INT1

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