MolNFT v1 · #178957 · protein

Crystal structure of CFL2 wild-type from burkholderia cenocepacia

7JQZ · ALPHA/BETA hydrolase fold: “Crystal structure of CFL2 wild-type from burkholderia cenocepacia”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #178957 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7JQZ
Type: protein
Length: 2,940 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ALPHA/BETA hydrolase fold
UniProt: B1K378
Pockets: 20 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J	ALPHA/BETA hydrolase fold	protein	294	41% helix, 20% strand	B1K378

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	1185	0.82	0.83	132	empty
2	633	0.81	0.85	71	empty
3	1121	0.80	0.81	94	empty
4	822	0.79	0.82	84	empty
5	467	0.73	0.82	48	empty

Interfaces

20 interfaces between chains.

I–J · 1258 Å² buried · 7 hydrogen bonds · protein-protein
C–D · 1244 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 1240 Å² buried · 6 hydrogen bonds · protein-protein
E–F · 1222 Å² buried · 7 hydrogen bonds · protein-protein
G–H · 1222 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

7JQZ · Crystal structure of Cfl2 wild-type from Burkholderia cenocepacia · 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 B1K378
Elsewhere: RCSB PDB 7JQZ · PDBe 7JQZ · UniProt B1K378

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