MolNFT v1 · #95624 · protein

The vibrio vulnificus nanr protein complexed with mannac-6P

4IVN · Transcriptional regulator: “The vibrio vulnificus nanr protein complexed with mannac-6P”. X-ray diffraction, 1 ligand (BMX), 4 pockets (best druggability 0.72). MolNFT v1 #95624 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4IVN
Type: protein
Length: 525 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator
UniProt: Q7MD38
Ligands: BMX
Pockets: 4 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 61% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulator	protein	264	60% helix, 10% strand	Q7MD38
B	Transcriptional regulator	protein	261	62% helix, 10% strand	Q7MD38

Ligands and binding sites

BMX · 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose · ligand · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	369	0.72	0.84	53	BMX
2	398	0.71	0.82	56	BMX
3	287	0.55	0.76	33	empty
4	244	0.51	0.75	32	empty

Interfaces

1 interface between chains.

A–B · 2378 Å² buried · 24 hydrogen bonds · protein-protein

Compared structures

4IVN · The Vibrio vulnificus NanR protein complexed with ManNAc-6P · 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 Q7MD38
Elsewhere: RCSB PDB 4IVN · PDBe 4IVN · UniProt Q7MD38

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.