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Sgtam bound to substrate mimic

Analyse Sgtam bound to substrate mimic in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2RJS
Type: protein
Length: 1,053 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosine aminomutase
EC: 5.4.3.6
UniProt: Q8GMG0
Ligands: 296
Pockets: 8 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 56% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine aminomutase (EC 5.4.3.6)	protein	526	56% helix, 7% strand	Q8GMG0
B	Tyrosine aminomutase (EC 5.4.3.6)	protein	527	56% helix, 6% strand	Q8GMG0

Ligands and binding sites

296 · (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid · ligand · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	180	0.53	0.78	35	296
2	152	0.50	0.78	32	296
3	99	0.39	0.77	20	empty
4	107	0.38	0.75	18	empty
5	82	0.36	0.77	14	empty

Interfaces

1 interface between chains.

A–B · 4942 Å² buried · 86 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent, 2 modified (covalent ligand, nonstandard).

Compared structures

Q8GMG0 · AlphaFold monomer V2.0 prediction for mio-dependent tyrosine 2,3-aminomutase (Q8GMG0) · a predicted model of the same protein · chain A against A, TM-score 1.00
2RJS · SgTAM bound to substrate mimic · the same entry in another collection · chain B against B, 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 Q8GMG0
Elsewhere: RCSB PDB 2RJS · PDBe 2RJS · UniProt Q8GMG0

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