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MolNFT v1 · #151838 · protein

Apo structure of tp domain from clinical penicillin-resistant mutant neisseria gonorrhoea strain 6140 penicillin-binding protein 2 (PBP2)

6HZJ · Probable peptidoglycan D,D-transpeptidase pena: “Apo structure of tp domain from clinical penicillin-resistant mutant neisseria gonorrhoea strain 6140…”. X-ray diffraction, 9 pockets (best druggability 0.63). MolNFT v1 #151838 on…

PDB
6HZJ
Type
protein
Length
653 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable peptidoglycan D,D-transpeptidase pena
EC
3.4.16.4
UniProt
E5KLA8
Pockets
9 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable peptidoglycan D,D-transpeptidase pena (EC 3.4.16.4)protein32636% helix, 21% strandE5KLA8
BProbable peptidoglycan D,D-transpeptidase pena (EC 3.4.16.4)protein32736% helix, 22% strandE5KLA8

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13610.630.7827empty
21270.570.8423empty
31100.550.8423empty
42700.530.7533empty
52250.490.7534empty

Interfaces

1 interface between chains.

  • A–B · 908 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 6HZJ · Apo structure of TP domain from clinical penicillin-resistant mutant Neisseria gonorrhoea… · the same entry in another collection · chain A against A, TM-score 1.00

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