MolNFT v1 · #61788 · protein

Crystal structure of the class a carbapenemase kpc-2 at 1.6 ångström resolution

3DW0: “Crystal structure of the class a carbapenemase kpc-2 at 1.6 ångström resolution”. X-ray diffraction, 4 pockets (best druggability 0.59). MolNFT v1 #61788 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3DW0
Type: protein
Length: 529 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Class a carbapenemase kpc-2
UniProt: A8DS27
Pockets: 4 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Class a carbapenemase kpc-2	protein	265	42% helix, 17% strand	A8DS27
B	Class a carbapenemase kpc-2	protein	264	42% helix, 17% strand	A8DS27

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	212	0.59	0.81	31	empty
2	113	0.36	0.74	18	empty
3	86	0.32	0.74	16	empty
4	54	0.27	0.74	15	empty

Interfaces

1 interface between chains.

A–B · 673 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

3DW0 · Crystal structure of the class A carbapenemase KPC-2 at 1.6 angstrom resolution · 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 A8DS27
Elsewhere: RCSB PDB 3DW0 · PDBe 3DW0 · UniProt A8DS27

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