MolNFT v1 · #89511 · protein

The crystal structure of fancm bound mhf complex

4DRB · Centromere protein S: “The crystal structure of fancm bound mhf complex”. X-ray diffraction, 18 pockets (best druggability 0.74). MolNFT v1 #89511 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4DRB
Type: protein
Length: 1,347 residues
Chains: 15
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Centromere protein S; Fanconi anemia group M protein; Centromere protein X
UniProt: Q8N2Z9, Q8IYD8, A8MT69
Pockets: 18 · best druggability 0.74

Structure

x-ray diffraction · 9 distinct chains · 64% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Centromere protein S	protein	98	79% helix, 4% strand	Q8N2Z9
B	Centromere protein S	protein	103	82% helix, 3% strand	Q8N2Z9
C	Fanconi anemia group M protein	protein	106	36% helix, 6% strand	Q8IYD8
D, E	Centromere protein S	protein	97	78% helix, 4% strand	Q8N2Z9
F	Fanconi anemia group M protein	protein	100	36% helix, 6% strand	Q8IYD8
G	Centromere protein S	protein	105	82% helix, 4% strand	Q8N2Z9
H	Centromere protein S	protein	94	79% helix, 4% strand	Q8N2Z9
I	Fanconi anemia group M protein	protein	103	39% helix, 6% strand	Q8IYD8
J, K, L, M, N, O	Centromere protein X	protein	74	68% helix, 5% strand	A8MT69

Pockets

18 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	682	0.74	0.80	82	empty
2	265	0.70	0.85	40	empty
3	212	0.64	0.84	38	empty
4	92	0.56	0.86	17	empty
5	212	0.54	0.78	32	empty

Interfaces

36 interfaces between chains.

A–J · 2308 Å² buried · 16 hydrogen bonds · protein-protein
B–K · 2260 Å² buried · 18 hydrogen bonds · protein-protein
H–O · 2242 Å² buried · 17 hydrogen bonds · protein-protein
D–L · 2236 Å² buried · 15 hydrogen bonds · protein-protein
G–N · 2178 Å² buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 modified (engineered).

Compared structures

4DRB · The crystal structure of FANCM bound MHF complex · the same entry in another collection · chain K against K, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q8N2Z9
Every structure of UniProt Q8IYD8
Every structure of UniProt A8MT69
Elsewhere: RCSB PDB 4DRB · PDBe 4DRB · UniProt Q8N2Z9 · UniProt Q8IYD8 · UniProt A8MT69

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