MolNFT v1 · #27149 · protein

Structure of the bir domain of iap-like protein 2

1XB0 · Baculoviral iap repeat-containing protein 8: “Structure of the bir domain of iap-like protein 2”. X-ray diffraction, 1 ligand (ZN), 9 pockets (best druggability 0.53). MolNFT v1 #27149 on GenesisL1: 3D structure, binding sites and…

PDB: 1XB0
Type: protein
Length: 596 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Baculoviral iap repeat-containing protein 8; Diablo homolog, mitochondrial
UniProt: Q96P09, Q9NR28
Ligands: ZN
Pockets: 9 · best druggability 0.53

Structure

x-ray diffraction · 7 distinct chains · 40% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Baculoviral iap repeat-containing protein 8	protein	92	42% helix, 10% strand	Q96P09
G, H, I, K, L	Diablo homolog, mitochondrial	protein	4	0% helix, 50% strand	Q9NR28
B	Baculoviral iap repeat-containing protein 8	protein	101	39% helix, 9% strand	Q96P09
C, D	Baculoviral iap repeat-containing protein 8	protein	91	43% helix, 10% strand	Q96P09
J	Diablo homolog, mitochondrial	protein	5	0% helix, 40% strand	Q9NR28
E	Baculoviral iap repeat-containing protein 8	protein	93	42% helix, 10% strand	Q96P09
F	Baculoviral iap repeat-containing protein 8	protein	103	39% helix, 9% strand	Q96P09

Ligands and binding sites

ZN · Zinc ion · metal · 24 copies · chains A, B, F, C, D, E

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	163	0.53	0.79	26	ZN
2	175	0.45	0.74	30	empty
3	156	0.43	0.75	33	empty
4	132	0.43	0.76	21	ZN
5	130	0.42	0.75	22	empty

Interfaces

18 interfaces between chains.

E–F · 537 Å² buried · 5 hydrogen bonds · protein-protein
A–B · 508 Å² buried · 5 hydrogen bonds · protein-protein
A–F · 333 Å² buried · 0 hydrogen bonds · protein-protein
C–D · 325 Å² buried · 0 hydrogen bonds · protein-protein
D–J · 306 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

1XB0 · Structure of the BIR domain of IAP-like protein 2 · the same entry in another collection · chain L against L, 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 Q96P09
Every structure of UniProt Q9NR28
Elsewhere: RCSB PDB 1XB0 · PDBe 1XB0 · UniProt Q96P09 · UniProt Q9NR28

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