MolNFT v1 · #56188 · protein

X-ray crystal structure of RV0760C from mycobacterium tuberculosis at 2.10 ångström resolution

2Z7A · Putative steroid isomerase: “X-ray crystal structure of RV0760C from mycobacterium tuberculosis at 2.10 ångström resolution”. X-ray diffraction, 7 pockets (best druggability 0.76). MolNFT v1 #56188 on GenesisL1: 3D structure…

PDB: 2Z7A
Type: protein
Length: 523 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative steroid isomerase
UniProt: P71817
Pockets: 7 · best druggability 0.76

Structure

x-ray diffraction · 4 distinct chains · 27% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative steroid isomerase	protein	133	28% helix, 41% strand	P71817
B	Putative steroid isomerase	protein	131	27% helix, 41% strand	P71817
C	Putative steroid isomerase	protein	133	26% helix, 39% strand	P71817
D	Putative steroid isomerase	protein	126	29% helix, 41% strand	P71817

Ligands and binding sites

ACT · Acetate ion · additive · 4 copies · chains B, A, C

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

Pockets

7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	220	0.76	0.89	32	empty
2	240	0.73	0.87	29	ACT
3	249	0.71	0.86	34	ACT
4	222	0.69	0.85	35	ACT
5	636	0.66	0.76	47	empty

Interfaces

3 interfaces between chains.

C–D · 988 Å² buried · 23 hydrogen bonds · protein-protein
A–B · 987 Å² buried · 24 hydrogen bonds · protein-protein
B–D · 207 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

2Z7A · X-ray crystal structure of RV0760c from Mycobacterium tuberculosis at 2.10 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 2Z7A · PDBe 2Z7A · UniProt P71817

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