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Orc-O1AAA: human origin recognition complex (orc) with DYNAMIC/UNRESOLVED ORC2 wh

Analyse Orc-O1AAA: human origin recognition complex (orc) with DYNAMIC/UNRESOLVED ORC2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7JPO
Type
protein
Length
1,966 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Origin recognition complex subunit 1; Origin recognition complex subunit 2; Origin…
UniProt
Q13415, Q13416, Q9UBD5, O43929, O43913
Ligands
ATP, MG, K
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 5 distinct chains · 53% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOrigin recognition complex subunit 1protein35254% helix, 10% strandQ13415
BOrigin recognition complex subunit 2protein20937% helix, 13% strandQ13416
COrigin recognition complex subunit 3protein59460% helix, 6% strandQ9UBD5
DOrigin recognition complex subunit 4protein40655% helix, 9% strandO43929
EOrigin recognition complex subunit 5protein40548% helix, 8% strandO43913

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 3 copies · chains A, D, E
  • MG · Magnesium ion · metal · 3 copies · chains A, D, E
  • K · Potassium ion · metal · chains B

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

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16370.840.8872empty
210800.820.8392ATP, MG
37550.790.8371ATP, MG
46180.750.8262ATP, MG
5990.750.9624empty

Interfaces

7 interfaces between chains.

  • B–C · 3415 Ų buried · 17 hydrogen bonds · protein-protein
  • D–E · 2821 Ų buried · 26 hydrogen bonds · protein-protein
  • A–D · 2594 Ų buried · 19 hydrogen bonds · protein-protein
  • C–E · 2084 Ų buried · 18 hydrogen bonds · protein-protein
  • B–E · 1044 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 7JPO · ORC-O1AAA: Human Origin Recognition Complex (ORC) with dynamic/unresolved ORC2 WH · the same entry in another collection · chain E against E, TM-score 1.00
  • Q9UBD5 · AlphaFold monomer V2.0 prediction for origin recognition complex subunit 3 (Q9UBD5) · a predicted model of the same protein · chain C against A, TM-score 0.98
  • Q13415 · AlphaFold monomer V2.0 prediction for origin recognition complex subunit 1 (Q13415) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • Q13416 · AlphaFold monomer V2.0 prediction for origin recognition complex subunit 2 (Q13416) · a predicted model of the same protein · chain B against A, TM-score 0.96
  • O43929 · AlphaFold monomer V2.0 prediction for origin recognition complex subunit 4 (O43929) · a predicted model of the same protein · chain D against A, TM-score 0.94
  • O43913 · AlphaFold monomer V2.0 prediction for origin recognition complex subunit 5 (O43913) · a predicted model of the same protein · chain E against A, TM-score 0.93

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