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Cryoem structure of human cmg bound to and-1 (cmga)

Analyse Cryoem structure of human cmg bound to and-1 (cmga) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6XTY
Type
protein
Length
6,117 residues
Chains
14
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA replication licensing factor MCM2; DNA replication licensing factor MCM3; DNA…
EC
3.6.4.12
UniProt
P49736, P25205, P33991, P33992, Q14566, P33993, Q14691, Q9Y248, Q9BRX5, Q9BRT9, O75419, O75717
Ligands
ZN
Pockets
20 · best druggability 0.89

Structure

electron microscopy · 12 distinct chains · 34% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
2DNA replication licensing factor MCM2 (EC 3.6.4.12)protein61136% helix, 17% strandP49736
3DNA replication licensing factor MCM3 (EC 3.6.4.12)protein60829% helix, 17% strandP25205
4DNA replication licensing factor MCM4 (EC 3.6.4.12)protein59830% helix, 15% strandP33991
5DNA replication licensing factor MCM5 (EC 3.6.4.12)protein57735% helix, 23% strandP33992
6DNA replication licensing factor MCM6 (EC 3.6.4.12)protein60931% helix, 20% strandQ14566
7DNA replication licensing factor MCM7 (EC 3.6.4.12)protein59831% helix, 20% strandP33993
ADNA replication complex gins protein PSF1protein19646% helix, 8% strandQ14691
BDNA replication complex gins protein PSF2protein17648% helix, 10% strandQ9Y248
CDNA replication complex gins protein PSF3protein19435% helix, 7% strandQ9BRX5
DDNA replication complex gins protein SLD5protein20345% helix, 12% strandQ9BRT9
ECell division control protein 45 homologprotein53839% helix, 14% strandO75419
F, G, HWd repeat and hmg-box DNA-binding protein 1protein40323% helix, 35% strandO75717

Ligands and binding sites

  • ZN · Zinc ion · metal · 5 copies · chains 2, 4, 5, 6, 7

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
19310.890.91113empty
210120.860.87129empty
39170.850.87102empty
43310.850.9452empty
511230.840.85128empty

Interfaces

27 interfaces between chains.

  • 3–7 · 3503 Ų buried · 27 hydrogen bonds · protein-protein
  • 2–6 · 3483 Ų buried · 28 hydrogen bonds · protein-protein
  • 4–6 · 3419 Ų buried · 20 hydrogen bonds · protein-protein
  • 4–7 · 3386 Ų buried · 21 hydrogen bonds · protein-protein
  • 3–5 · 3359 Ų buried · 31 hydrogen bonds · protein-protein

Compared structures

  • O75717 · AlphaFold monomer V2.0 prediction for wd repeat and hmg-box DNA- binding protein 1… · a predicted model of the same protein · chain F against A, TM-score 1.00
  • O75419 · AlphaFold monomer V2.0 prediction for cell division control protein 45 homolog (O75419) · a predicted model of the same protein · chain E against A, TM-score 0.97
  • Q9Y248 · AlphaFold monomer V2.0 prediction for DNA replication complex gins protein PSF2 (Q9Y248) · a predicted model of the same protein · chain B against A, TM-score 0.95
  • Q9BRT9 · AlphaFold monomer V2.0 prediction for DNA replication complex gins protein SLD5 (Q9BRT9) · a predicted model of the same protein · chain D against A, TM-score 0.94
  • P33991 · AlphaFold monomer V2.0 prediction for DNA replication licensing factor MCM4 (P33991) · a predicted model of the same protein · chain 4 against A, TM-score 0.94
  • Q9BRX5 · AlphaFold monomer V2.0 prediction for DNA replication complex gins protein PSF3 (Q9BRX5) · a predicted model of the same protein · chain C against A, TM-score 0.92
  • P33993 · AlphaFold monomer V2.0 prediction for DNA replication licensing factor MCM7 (P33993) · a predicted model of the same protein · chain 7 against A, TM-score 0.91
  • Q14691 · AlphaFold monomer V2.0 prediction for DNA replication complex gins protein PSF1 (Q14691) · a predicted model of the same protein · chain A against A, TM-score 0.91
  • P49736 · AlphaFold monomer V2.0 prediction for DNA replication licensing factor MCM2 (P49736) · a predicted model of the same protein · chain 2 against A, TM-score 0.84
  • Q14566 · AlphaFold monomer V2.0 prediction for DNA replication licensing factor MCM6 (Q14566) · a predicted model of the same protein · chain 6 against A, TM-score 0.81
  • P25205 · AlphaFold monomer V2.0 prediction for DNA replication licensing factor MCM3 (P25205) · a predicted model of the same protein · chain 3 against A, TM-score 0.78
  • P33992 · AlphaFold monomer V2.0 prediction for DNA replication licensing factor MCM5 (P33992) · a predicted model of the same protein · chain 5 against A, TM-score 0.68

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