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Structure of the human fanconi anaemia Core-UBE2T-ID-DNA complex in intermediate state

Analyse Structure of the human fanconi anaemia Core-UBE2T-ID-DNA complex in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7KZT
Type
protein + DNA
Length
11,045 residues
Chains
19
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
4.2
Source
Homo sapiens; SYNTHETIC CONSTRUCT
Molecule
Fanconi anemia group A protein; Fanconi anemia group B protein; Fanconi anemia group C…
EC
2.3.2.27, 2.3.2.23
UniProt
O15360, Q8NB91, Q00597, Q9HB96, Q9NPI8, O15287, Q9NW38, Q0VG06, Q9NPD8, B7ZMF2, Q9BXW9
Ligands
ZN
Pockets
20 · best druggability 0.84

Structure

electron microscopy · resolution 4.2 · 18 distinct chains · 54% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFanconi anemia group A proteinprotein118668% helix, 0% strandO15360
BFanconi anemia group B proteinprotein70122% helix, 35% strandQ8NB91
CFanconi anemia group C proteinprotein55070% helix, 0% strandQ00597
EFanconi anemia group E proteinprotein41961% helix, 2% strandQ9HB96
FFanconi anemia group F proteinprotein34068% helix, 3% strandQ9NPI8
GFanconi anemia group G proteinprotein57769% helix, 0% strandO15287
HFanconi anemia group G proteinprotein54471% helix, 0% strandO15287
L, ME3 ubiquitin-protein ligase FANCL (EC 2.3.2.27)protein37030% helix, 19% strandQ9NW38
OFanconi anemia group B proteinprotein69920% helix, 35% strandQ8NB91
PFanconi anemia core complex-associated protein 100protein74823% helix, 31% strandQ0VG06
QFanconi anemia core complex-associated protein 100protein75421% helix, 31% strandQ0VG06
SFanconi anemia group A proteinprotein125068% helix, 0% strandO15360
WFanconi anemia core complex-associated protein 20protein390% helix, 10% strand—
XUbiquitin-conjugating enzyme E2 T (EC 2.3.2.23)protein15336% helix, 16% strandQ9NPD8
UFanconi anemia, complementation group Iprotein118171% helix, 1% strandB7ZMF2
VFanconi anemia group D2 proteinprotein112069% helix, 2% strandQ9BXW9
YDNA (22-mer)dna22——
ZDNA (22-mer)dna22——

Ligands and binding sites

  • ZN · Zinc ion · metal · 5 copies · chains G, L, M

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
18260.840.8777empty
211880.830.84118empty
310780.820.84100empty
411120.820.83112empty
510370.820.8281empty

Interfaces

41 interfaces between chains.

  • B–P · 7482 Ų buried · 67 hydrogen bonds · protein-protein
  • O–Q · 7448 Ų buried · 68 hydrogen bonds · protein-protein
  • C–F · 3135 Ų buried · 23 hydrogen bonds · protein-protein
  • C–E · 2953 Ų buried · 24 hydrogen bonds · protein-protein
  • A–H · 2590 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • Q9NPD8 · AlphaFold monomer V2.0 prediction for ubiquitin-conjugating enzyme E2 T (Q9NPD8) · a predicted model of the same protein · chain X against A, TM-score 0.96
  • O15287 · AlphaFold monomer V2.0 prediction for fanconi anemia group G protein (O15287) · a predicted model of the same protein · chain H against A, TM-score 0.92
  • Q00597 · AlphaFold monomer V2.0 prediction for fanconi anemia group C protein (Q00597) · a predicted model of the same protein · chain C against A, TM-score 0.88
  • Q9BXW9 · AlphaFold monomer V2.0 prediction for fanconi anemia group D2 protein (Q9BXW9) · a predicted model of the same protein · chain V against A, TM-score 0.81
  • O15360 · AlphaFold monomer V2.0 prediction for fanconi anemia group a protein (O15360) · a predicted model of the same protein · chain S against A, TM-score 0.75
  • Q9NW38 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase fancl (Q9NW38) · a predicted model of the same protein · chain M against A, TM-score 0.71
  • Q9NPI8 · AlphaFold monomer V2.0 prediction for fanconi anemia group F protein (Q9NPI8) · a predicted model of the same protein · chain F against A, TM-score 0.64
  • Q0VG06 · AlphaFold monomer V2.0 prediction for fanconi anemia core complex- associated protein 100… · a predicted model of the same protein · chain P against A, TM-score 0.61
  • Q9HB96 · AlphaFold monomer V2.0 prediction for fanconi anemia group E protein (Q9HB96) · a predicted model of the same protein · chain E against A, TM-score 0.58

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