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MolNFT v1 · #178915 · protein

Orc-O2WH: human origin recognition complex (orc) with DYNAMIC/UNRESOLVED ORC1 aaa+ domain

7JPP · Origin recognition complex subunit 1: “Orc-O2WH: human origin recognition complex (orc) with DYNAMIC/UNRESOLVED ORC1 aaa+ domain”. Electron microscopy, 2 ligands (ATP, MG), 20 pockets (best druggability 0.83). MolNFT v1 #178915 on…

PDB
7JPP
Type
protein
Length
1,816 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
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 5 distinct chains · 54% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOrigin recognition complex subunit 1protein10061% helix, 8% strandQ13415
BOrigin recognition complex subunit 2protein30747% helix, 9% strandQ13416
COrigin recognition complex subunit 3protein59761% helix, 6% strandQ9UBD5
DOrigin recognition complex subunit 4protein40655% helix, 8% strandO43929
EOrigin recognition complex subunit 5protein40649% helix, 9% strandO43913

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains D, E
  • MG · Magnesium ion · metal · 2 copies · chains D, E

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
14140.830.9139empty
29180.820.8499ATP, MG
37000.790.8474ATP, MG
47140.790.8364empty
53290.730.8549empty

Interfaces

9 interfaces between chains.

  • B–C · 3396 Ų buried · 20 hydrogen bonds · protein-protein
  • D–E · 2774 Ų buried · 22 hydrogen bonds · protein-protein
  • C–E · 2094 Ų buried · 12 hydrogen bonds · protein-protein
  • A–D · 1228 Ų buried · 12 hydrogen bonds · protein-protein
  • B–E · 737 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 7JPP · ORC-O2WH: Human Origin Recognition Complex (ORC) with dynamic/unresolved ORC1 AAA+ domain · 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
  • 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
  • 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 0.68

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