MolNFT v1 · #24915 · protein

Antigen 85C with octylthioglucoside in active site

1VA5 · Antigen 85-C: “Antigen 85C with octylthioglucoside in active site”. X-ray diffraction, 1 ligand (SOG), 5 pockets (best druggability 0.57). MolNFT v1 #24915 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1VA5
Type: protein
Length: 566 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Antigen 85-C
EC: 2.3.1.-
UniProt: P0A4V4
Ligands: SOG
Pockets: 5 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Antigen 85-C (EC 2.3.1.-)	protein	283	39% helix, 16% strand	P0A4V4

Ligands and binding sites

SOG · octyl 1-thio-beta-D-glucopyranoside · ligand · 4 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	239	0.57	0.78	33	SOG
2	221	0.55	0.78	34	SOG
3	133	0.42	0.75	18	SOG
4	105	0.38	0.75	13	SOG
5	54	0.30	0.75	16	empty

Interfaces

1 interface between chains.

A–B · 342 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

1VA5 · Antigen 85C with octylthioglucoside in active site · 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 P0A4V4
Elsewhere: RCSB PDB 1VA5 · PDBe 1VA5 · UniProt P0A4V4

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