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MolNFT v1 · #160462 · protein

Structural coordination of polymerization and crosslinking by a peptidoglycan synthase complex

6PL5 · Peptidoglycan glycosyltransferase roda: “Structural coordination of polymerization and crosslinking by a peptidoglycan synthase complex”. X-ray diffraction, 11 pockets (best druggability 0.73). MolNFT v1 #160462 on GenesisL1: 3D…

PDB
6PL5
Type
protein
Length
924 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptidoglycan glycosyltransferase roda; Penicillin-binding protein 2/CELL division…
EC
2.4.1.129
UniProt
Q5SIX3, Q5SJ23
Pockets
11 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 48% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeptidoglycan glycosyltransferase roda (EC 2.4.1.129)protein33671% helix, 1% strandQ5SIX3
BPenicillin-binding protein 2/CELL division protein ftsiprotein57735% helix, 19% strandQ5SJ23
DUnknown peptideprotein110% helix, 0% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18630.730.7893empty
22660.670.8340empty
3600.640.9321empty
42490.580.7931empty
52440.510.7523empty

Interfaces

2 interfaces between chains.

  • A–B · 1711 Ų buried · 10 hydrogen bonds · protein-protein
  • B–D · 373 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6PL5 · Structural coordination of polymerization and crosslinking by a peptidoglycan synthase… · the same entry in another collection · chain A against A, TM-score 1.00

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