MolNFT v1 · #146012 · protein

M. thermoresistible GUAB2 delta-cbs in complex with inhibitor compound 27 (VCC663664)

6D4U · Inosine-5'-monophosphate DEHYDROGENASE,INOSINE-5'…: “M. thermoresistible GUAB2 delta-cbs in complex with inhibitor compound 27 (VCC663664)”. X-ray diffraction, 2 ligands (IMP, FWP), 2 pockets (best druggability 0.74). MolNFT v1…

PDB: 6D4U
Type: protein
Length: 330 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Inosine-5'-monophosphate DEHYDROGENASE,INOSINE-5'- monophosphate dehydrogenase
EC: 1.1.1.205
UniProt: G7CNL4
Ligands: IMP, FWP
Pockets: 2 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Inosine-5'-monophosphate DEHYDROGENASE,INOSINE-5'- monophosphate dehydrogenase (EC 1.1.1.205)	protein	330	37% helix, 20% strand	G7CNL4

Ligands and binding sites

IMP · Inosinic acid · ligand · chains A
FWP · 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl) sulfonyl]piperazin-1-yl}ethan-1-one · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	389	0.74	0.84	42	IMP, FWP
2	62	0.29	0.74	20	empty

Compared structures

6D4U · M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 27 (VCC663664) · 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 G7CNL4
Elsewhere: RCSB PDB 6D4U · PDBe 6D4U · UniProt G7CNL4

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