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MolNFT v1 · #177920 · protein + DNA

Crystal structure of ZBTB7A in complex with gamma-globin -200 sequence element with C-194A mutation

7EYI · Zinc finger and btb domain-containing protein 7A: “Crystal structure of ZBTB7A in complex with gamma-globin -200 sequence element with C-194A mutation”. X-ray diffraction, 2 ligands (ZN, BO3), 7 pockets (best druggability 0.80).…

PDB
7EYI
Type
protein + DNA
Length
291 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Zinc finger and btb domain-containing protein 7A; DNA (5'…
UniProt
O95365
Ligands
ZN, BO3
Pockets
7 · best druggability 0.80

Structure

x-ray diffraction · 6 distinct chains · 36% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
GZinc finger and btb domain-containing protein 7Aprotein11138% helix, 16% strandO95365
HZinc finger and btb domain-containing protein 7Aprotein11234% helix, 16% strandO95365
ADNA (5'- D(*AP*TP*AP*GP*GP*GP*CP*CP*CP*CP*TP*TP*CP*CP*CP*AP*AP*C)-3')dna16——
BDNA (5'- D(*TP*GP*TP*TP*GP*GP*GP*AP*AP*GP*GP*GP*GP*CP*CP*CP*TP*A)-3')dna16——
CDNA (5'- D(*AP*TP*AP*GP*GP*GP*CP*CP*CP*CP*TP*TP*CP*CP*CP*AP*AP*C)-3')dna18——
DDNA (5'- D(*TP*GP*TP*TP*GP*GP*GP*AP*AP*GP*GP*GP*GP*CP*CP*CP*TP*A)-3')dna18——

Ligands and binding sites

  • ZN · Zinc ion · metal · 8 copies · chains G, H
  • BO3 · Boric acid · ion · chains G, A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14120.800.8846empty
22270.740.8937BO3
37500.690.7760empty
4990.610.8816empty
5840.530.8515empty

Interfaces

12 interfaces between chains.

  • G–B · 949 Ų buried · 25 hydrogen bonds · protein-nucleic
  • H–D · 884 Ų buried · 23 hydrogen bonds · protein-nucleic
  • G–A · 776 Ų buried · 11 hydrogen bonds · protein-nucleic
  • H–C · 775 Ų buried · 13 hydrogen bonds · protein-nucleic
  • C–D · 767 Ų buried · 71 hydrogen bonds · nucleic-nucleic

Compared structures

  • 7EYI · Crystal structure of ZBTB7A in complex with gamma-globin -200 sequence element with… · the same entry in another collection · chain D against D, TM-score 1.00
  • O95365 · AlphaFold monomer V2.0 prediction for zinc finger and btb domain- containing protein 7A… · a predicted model of the same protein · chain G against A, TM-score 0.74

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