MolNFT v1 · #107931 · protein

Crystal structure of human bj-tsa-9

4URJ · Protein FAM83A: “Crystal structure of human bj-tsa-9”. X-ray diffraction, 9 pockets (best druggability 0.58). MolNFT v1 #107931 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4URJ
Type: protein
Length: 685 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein FAM83A
UniProt: Q86UY5
Pockets: 9 · best druggability 0.58

Structure

x-ray diffraction · 4 distinct chains · 32% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein FAM83A	protein	169	33% helix, 31% strand	Q86UY5
B	Protein FAM83A	protein	173	34% helix, 31% strand	Q86UY5
C	Protein FAM83A	protein	169	30% helix, 33% strand	Q86UY5
D	Protein FAM83A	protein	174	30% helix, 32% strand	Q86UY5

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 7 copies · chains A, B, C, D

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

Pockets

9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	343	0.58	0.76	51	empty
2	92	0.57	0.87	29	empty
3	180	0.46	0.74	16	empty
4	113	0.38	0.75	20	empty
5	53	0.34	0.78	13	empty

Interfaces

5 interfaces between chains.

C–D · 1378 Å² buried · 22 hydrogen bonds · protein-protein
A–B · 409 Å² buried · 6 hydrogen bonds · protein-protein
B–C · 373 Å² buried · 3 hydrogen bonds · protein-protein
A–D · 301 Å² buried · 1 hydrogen bond · protein-protein
A–C · 52 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

4URJ · Crystal structure of human BJ-TSA-9 · the same entry in another collection · chain A against A, TM-score 1.00
Q86UY5 · AlphaFold monomer V2.0 prediction for protein FAM83A (Q86UY5) · a predicted model of the same protein · chain D against A, TM-score 0.97

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 Q86UY5
Elsewhere: RCSB PDB 4URJ · PDBe 4URJ · UniProt Q86UY5

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