MolNFT v1 · #158040 · protein

Pseudomonas fluorescens isocyanide hydratase at 274 K qfit multiconformer model

6NI9 · Isonitrile hydratase inha: “Pseudomonas fluorescens isocyanide hydratase at 274 K qfit multiconformer model”. X-ray diffraction, 4 pockets (best druggability 0.59). MolNFT v1 #158040 on GenesisL1: 3D structure, binding sites and…

PDB: 6NI9
Type: protein
Length: 456 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Isonitrile hydratase inha
UniProt: Q4K977
Pockets: 4 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Isonitrile hydratase inha	protein	227	43% helix, 19% strand	Q4K977
B	Isonitrile hydratase inha	protein	229	42% helix, 20% strand	Q4K977

Pockets

4 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	235	0.59	0.80	27	empty
2	242	0.57	0.78	29	empty
3	90	0.40	0.78	19	empty
4	67	0.30	0.74	17	empty

Interfaces

1 interface between chains.

A–B · 2546 Å² buried · 46 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

6NI9 · Pseudomonas fluorescens isocyanide hydratase at 274 K qFit multiconformer model · 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 Q4K977
Elsewhere: RCSB PDB 6NI9 · PDBe 6NI9 · UniProt Q4K977

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