MolNFT v1 · #92951 · protein

Crystal structure of pnpe from pseudomonas sp. wbc-3

4GO3 · Putative gamma-hydroxymuconic semialdehyde dehydrogenase: “Crystal structure of pnpe from pseudomonas sp. wbc-3”. X-ray diffraction, 20 pockets (best druggability 0.87). MolNFT v1 #92951 on GenesisL1: 3D structure, binding sites and…

PDB: 4GO3
Type: protein
Length: 3,894 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative gamma-hydroxymuconic semialdehyde dehydrogenase
EC: 1.2.1.3
UniProt: C1I208
Pockets: 20 · best druggability 0.87

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, F, G, H	Putative gamma-hydroxymuconic semialdehyde dehydrogenase (EC 1.2.1.3)	protein	487	40% helix, 20% strand	C1I208
E	Putative gamma-hydroxymuconic semialdehyde dehydrogenase (EC 1.2.1.3)	protein	485	40% helix, 20% strand	C1I208

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	868	0.87	0.89	111	empty
2	1127	0.82	0.84	127	empty
3	1175	0.82	0.83	120	empty
4	1000	0.81	0.82	113	empty
5	901	0.79	0.82	107	empty

Interfaces

15 interfaces between chains.

A–C · 3254 Å² buried · 57 hydrogen bonds · protein-protein
B–F · 3147 Å² buried · 51 hydrogen bonds · protein-protein
D–G · 3108 Å² buried · 45 hydrogen bonds · protein-protein
E–H · 3068 Å² buried · 53 hydrogen bonds · protein-protein
D–E · 1095 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

4GO3 · Crystal structure of PnpE from Pseudomonas sp. WBC-3 · 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 C1I208
Elsewhere: RCSB PDB 4GO3 · PDBe 4GO3 · UniProt C1I208

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