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MolNFT v1 · #143847 · protein

Mechanisms of opening and closing of the bacterial replicative helicase: the dnab helicase and lambda P helicase loader complex

6BBM · Replicative DNA helicase: “Mechanisms of opening and closing of the bacterial replicative helicase: the dnab helicase and lambda P…”. Electron microscopy, 1 ligand (ADP), 20 pockets (best druggability 0.87). MolNFT v1 #143847 on…

PDB
6BBM
Type
protein
Length
3,280 residues
Chains
11
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Replicative DNA helicase; Replication protein P
EC
3.6.4.12
UniProt
A0A365Q7M1, P03689
Ligands
ADP
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 10 distinct chains · 35% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReplicative DNA helicase (EC 3.6.4.12)protein40535% helix, 12% strandA0A365Q7M1
BReplicative DNA helicase (EC 3.6.4.12)protein44736% helix, 9% strandA0A365Q7M1
CReplicative DNA helicase (EC 3.6.4.12)protein45334% helix, 9% strandA0A365Q7M1
DReplicative DNA helicase (EC 3.6.4.12)protein45535% helix, 8% strandA0A365Q7M1
EReplicative DNA helicase (EC 3.6.4.12)protein45436% helix, 8% strandA0A365Q7M1
FReplicative DNA helicase (EC 3.6.4.12)protein44839% helix, 8% strandA0A365Q7M1
V, WReplication protein Pprotein12534% helix, 0% strandP03689
XReplication protein Pprotein12132% helix, 0% strandP03689
YReplication protein Pprotein12431% helix, 0% strandP03689
ZReplication protein Pprotein12337% helix, 2% strandP03689

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 5 copies · chains A, F, B, C, D, E, W

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110210.870.8888empty
29840.840.86110ADP
310440.840.86120ADP
45050.840.9139empty
510660.840.85102ADP

Interfaces

21 interfaces between chains.

  • B–C · 3606 Ų buried · 23 hydrogen bonds · protein-protein
  • E–F · 3587 Ų buried · 44 hydrogen bonds · protein-protein
  • C–D · 3554 Ų buried · 41 hydrogen bonds · protein-protein
  • D–E · 3383 Ų buried · 39 hydrogen bonds · protein-protein
  • A–F · 3160 Ų buried · 38 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent (covalent ligand).

Compared structures

  • 6BBM · Mechanisms of Opening and Closing of the Bacterial Replicative Helicase: The DnaB… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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