MolNFT v1 · #56184 · protein

X-ray crystal structure of RV0760C from mycobacterium tuberculosis at 1.82 ångström resolution

2Z76 · Putative steroid isomerase: “X-ray crystal structure of RV0760C from mycobacterium tuberculosis at 1.82 ångström resolution”. X-ray diffraction, 3 pockets (best druggability 0.78). MolNFT v1 #56184 on GenesisL1: 3D structure…

PDB: 2Z76
Type: protein
Length: 262 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative steroid isomerase
UniProt: P71817
Pockets: 3 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative steroid isomerase	protein	131	26% helix, 44% strand	P71817

Ligands and binding sites

ACT · Acetate ion · additive · 3 copies · chains A, B
MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
LDA · Lauryl dimethylamine-N-oxide · additive · chains A

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

Pockets

3 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	293	0.78	0.89	37	empty
2	219	0.74	0.88	31	ACT, MPD, LDA
3	67	0.35	0.77	15	ACT

Interfaces

1 interface between chains.

A–B · 983 Å² buried · 25 hydrogen bonds · protein-protein

Compared structures

2Z76 · X-ray crystal structure of RV0760c from Mycobacterium tuberculosis at 1.82 Angstrom… · 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 P71817
Elsewhere: RCSB PDB 2Z76 · PDBe 2Z76 · UniProt P71817

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