MolNFT v1 · #162270 · protein

M.TUBERCULOSIS nitrobindin with a cyanide molecule coordinated to the heme iron atom

6R3Y · UPF0678 fatty acid-binding protein-like protein…: “M.TUBERCULOSIS nitrobindin with a cyanide molecule coordinated to the heme iron atom”. X-ray diffraction, 2 ligands (HEM, CYN), 1 pocket (best druggability 0.62). MolNFT v1 #162270…

PDB: 6R3Y
Type: protein
Length: 161 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: UPF0678 fatty acid-binding protein-like protein ERS007657_00996
UniProt: A0A0E8TXJ8
Ligands: HEM, CYN
Pockets: 1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 66% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	UPF0678 fatty acid-binding protein-like protein ERS007657_00996	protein	161	6% helix, 66% strand	A0A0E8TXJ8

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
CYN · Cyanide ion · ion · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	261	0.62	0.80	28	HEM, CYN

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

6R3Y · M.tuberculosis nitrobindin with a cyanide molecule coordinated to the heme iron atom · 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 A0A0E8TXJ8
Elsewhere: RCSB PDB 6R3Y · PDBe 6R3Y · UniProt A0A0E8TXJ8

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