MolNFT v1 · #152683 · protein

Crystal structure of CQSB2 from streptomyces exfoliatus 2419-SVT2 (apo form)

6IPV: “Crystal structure of CQSB2 from streptomyces exfoliatus 2419-SVT2 (apo form)”. X-ray diffraction, 10 pockets (best druggability 0.81). MolNFT v1 #152683 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6IPV
Type: protein
Length: 884 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CQSB2
Pockets: 10 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	CQSB2	protein	221	36% helix, 28% strand	—

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	122	0.81	0.98	25	empty
2	121	0.81	0.98	25	empty
3	130	0.81	0.97	25	empty
4	117	0.80	0.97	26	empty
5	706	0.73	0.79	80	empty

Interfaces

5 interfaces between chains.

C–D · 4735 Å² buried · 65 hydrogen bonds · protein-protein
A–B · 4654 Å² buried · 66 hydrogen bonds · protein-protein
B–C · 172 Å² buried · 2 hydrogen bonds · protein-protein
B–D · 93 Å² buried · 0 hydrogen bonds · protein-protein
A–D · 18 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

6IPV · Crystal structure of CqsB2 from Streptomyces exfoliatus 2419-SVT2 (apo form) · 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
Elsewhere: RCSB PDB 6IPV · PDBe 6IPV

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