MolNFT v1 · #105975 · protein

Crystal structure of acinetobacter baumannii CARO2

4RLB · Carbapenem-associated resistance protein: “Crystal structure of acinetobacter baumannii CARO2”. X-ray diffraction, 5 pockets (best druggability 0.57). MolNFT v1 #105975 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4RLB
Type: protein
Length: 426 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Carbapenem-associated resistance protein
UniProt: Q5DL42
Pockets: 5 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 65% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Carbapenem-associated resistance protein	protein	213	10% helix, 65% strand	Q5DL42

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	236	0.57	0.78	33	empty
2	114	0.57	0.84	25	empty
3	252	0.55	0.76	29	empty
4	92	0.46	0.80	21	empty
5	57	0.31	0.76	14	empty

Interfaces

1 interface between chains.

A–B · 476 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

4RLB · Crystal structure of Acinetobacter baumannii CarO2 · 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 Q5DL42
Elsewhere: RCSB PDB 4RLB · PDBe 4RLB · UniProt Q5DL42

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