MolNFT v1 · #143549 · protein

C. jejuni C315S agmatine deiminase with substrate bound

6B2W · Putative peptidyl-arginine deiminase family protein: “C. jejuni C315S agmatine deiminase with substrate bound”. X-ray diffraction, 2 ligands (AG2, K), 5 pockets (best druggability 0.76). MolNFT v1 #143549 on GenesisL1: 3D structure…

PDB: 6B2W
Type: protein
Length: 666 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative peptidyl-arginine deiminase family protein
UniProt: Q0P9V0
Ligands: AG2, K
Pockets: 5 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative peptidyl-arginine deiminase family protein	protein	333	30% helix, 28% strand	Q0P9V0

Ligands and binding sites

AG2 · Agmatine · ligand · 2 copies · chains A, B
K · Potassium ion · metal · 2 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	82	0.76	0.98	21	empty
2	87	0.76	0.98	19	empty
3	319	0.51	0.73	31	empty
4	146	0.49	0.78	26	empty
5	99	0.34	0.73	23	empty

Interfaces

1 interface between chains.

A–B · 73 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

6B2W · C. Jejuni C315S Agmatine Deiminase with Substrate Bound · 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 Q0P9V0
Elsewhere: RCSB PDB 6B2W · PDBe 6B2W · UniProt Q0P9V0

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