MolNFT v1 · #15007 · protein

Crystal structure of streptogramin a acetyltransferase

1MR7: “Crystal structure of streptogramin a acetyltransferase”. X-ray diffraction, 5 pockets (best druggability 0.84). MolNFT v1 #15007 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1MR7
Type: protein
Length: 1,217 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Streptogramin a acetyltransferase
EC: 2.3.1.-
UniProt: P50870
Pockets: 5 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, X, Y, Z	Streptogramin a acetyltransferase (EC 2.3.1.-)	protein	203	27% helix, 22% strand	P50870
C	Streptogramin a acetyltransferase (EC 2.3.1.-)	protein	202	26% helix, 21% strand	P50870

Pockets

5 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	1177	0.84	0.85	166	empty
2	875	0.80	0.83	106	empty
3	543	0.73	0.81	68	empty
4	528	0.72	0.80	67	empty
5	504	0.72	0.81	62	empty

Interfaces

9 interfaces between chains.

B–C · 1340 Å² buried · 15 hydrogen bonds · protein-protein
Y–Z · 1339 Å² buried · 14 hydrogen bonds · protein-protein
X–Z · 1338 Å² buried · 14 hydrogen bonds · protein-protein
A–C · 1326 Å² buried · 15 hydrogen bonds · protein-protein
A–B · 1324 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

1MR7 · Crystal Structure of Streptogramin A Acetyltransferase · the same entry in another collection · chain Z against Z, TM-score 1.00
P50870 · AlphaFold monomer V2.0 prediction for streptogramin a acetyltransferase (P50870) · a predicted model of the same protein · chain C against A, TM-score 0.98

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 P50870
Elsewhere: RCSB PDB 1MR7 · PDBe 1MR7 · UniProt P50870

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