MolNFT v1 · #585 · protein

Crystal structure of protein tyrosine phosphatase 1B complexed with two BIS(PARA-PHOSPHOPHENYL)METHANE (bppm) molecules

1AAX: “Crystal structure of protein tyrosine phosphatase 1B complexed with two BIS(PARA-PHOSPHOPHENYL)METHANE (bppm)…”. X-ray diffraction, 2 ligands (BPM, MG), 2 pockets (best druggability 0.48). MolNFT v1 #585 on GenesisL1: 3D structure…

PDB: 1AAX
Type: protein
Length: 297 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein tyrosine phosphatase 1B
EC: 3.1.3.48
UniProt: P18031
Ligands: BPM, MG
Pockets: 2 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein tyrosine phosphatase 1B (EC 3.1.3.48)	protein	297	36% helix, 21% strand	P18031

Ligands and binding sites

BPM · 4-phosphonooxy-phenyl-methyl-[4-phosphonooxy]benzen · ligand · 2 copies · chains A
MG · Magnesium ion · metal · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	68	0.48	0.83	15	BPM
2	56	0.33	0.77	15	empty

Compared structures

1AAX · Crystal structure of protein tyrosine phosphatase 1B complexed with two… · the same entry in another collection · chain A against A, 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 P18031
Elsewhere: RCSB PDB 1AAX · PDBe 1AAX · UniProt P18031

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