MolNFT v1 · #134943 · protein

Crystal structure of uncharacterized cupredoxin-like domain protein from bacillus anthracis

5TK2 · Cytochrome B: “Crystal structure of uncharacterized cupredoxin-like domain protein from bacillus anthracis”. X-ray diffraction, 2 ligands (MLT, CD), 1 pocket (best druggability 0.78). MolNFT v1 #134943 on GenesisL1: 3D structure…

PDB: 5TK2
Type: protein
Length: 351 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome B
UniProt: Q81ST4
Ligands: MLT, CD
Pockets: 1 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 3% helix, 56% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome B	protein	87	3% helix, 56% strand	Q81ST4
B, C, D	Cytochrome B	protein	88	3% helix, 56% strand	Q81ST4

Ligands and binding sites

MLT · D-malate · ligand · 3 copies · chains A, B, D
CD · Cadmium ion · metal · 4 copies · chains A, B, C, D
EDO · 1,2-ethanediol · additive · chains B
FMT · Formic acid · additive · chains D

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	1092	0.78	0.80	115	empty

Interfaces

5 interfaces between chains.

A–C · 500 Å² buried · 1 hydrogen bond · protein-protein
A–B · 350 Å² buried · 5 hydrogen bonds · protein-protein
C–D · 282 Å² buried · 2 hydrogen bonds · protein-protein
A–D · 70 Å² buried · 0 hydrogen bonds · protein-protein
B–C · 49 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

5TK2 · Crystal Structure of Uncharacterized Cupredoxin-like domain protein from Bacillus… · 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 Q81ST4
Elsewhere: RCSB PDB 5TK2 · PDBe 5TK2 · UniProt Q81ST4

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