MolNFT v1 · #18829 · protein

Carbapenam synthetase

1Q15 · Cara: “Carbapenam synthetase”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #18829 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1Q15
Type: protein
Length: 1,946 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cara
UniProt: Q9XB61
Pockets: 20 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, B	Cara	protein	491	42% helix, 21% strand	Q9XB61
D	Cara	protein	473	41% helix, 21% strand	Q9XB61

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1138	0.82	0.83	74	empty
2	1034	0.82	0.83	81	empty
3	360	0.77	0.88	62	empty
4	489	0.76	0.84	65	empty
5	501	0.75	0.84	71	empty

Interfaces

6 interfaces between chains.

A–D · 1455 Å² buried · 16 hydrogen bonds · protein-protein
C–B · 1413 Å² buried · 16 hydrogen bonds · protein-protein
C–D · 1237 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 1211 Å² buried · 9 hydrogen bonds · protein-protein
A–C · 119 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

1Q15 · Carbapenam Synthetase · the same entry in another collection · chain D against D, TM-score 1.00
Q9XB61 · AlphaFold monomer V2.0 prediction for carbapenam-3-carboxylate synthase (Q9XB61) · a predicted model of the same protein · chain B 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 Q9XB61
Elsewhere: RCSB PDB 1Q15 · PDBe 1Q15 · UniProt Q9XB61

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