MolNFT v1 · #147120 · protein

Structure of SIW14 catalytic core

6E3B · Tyrosine-protein phosphatase SIW14: “Structure of SIW14 catalytic core”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.90). MolNFT v1 #147120 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6E3B
Type: protein
Length: 4,055 residues
Chains: 24
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosine-protein phosphatase SIW14
EC: 3.1.3.48
UniProt: P53965
Ligands: SO4
Pockets: 20 · best druggability 0.90

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, V, W, X, Y	Tyrosine-protein phosphatase SIW14 (EC 3.1.3.48)	protein	169	45% helix, 12% strand	P53965
T	Tyrosine-protein phosphatase SIW14 (EC 3.1.3.48)	protein	168	44% helix, 12% strand	P53965

Ligands and binding sites

SO4 · Sulfate ion · ion · 24 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, V, W, X, Y

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1146	0.90	0.91	144	empty
2	1015	0.88	0.90	110	SO4
3	744	0.87	0.91	111	SO4
4	416	0.83	0.91	62	SO4
5	963	0.76	0.79	107	SO4

Interfaces

56 interfaces between chains.

J–Q · 1431 Å² buried · 10 hydrogen bonds · protein-protein
B–V · 1409 Å² buried · 14 hydrogen bonds · protein-protein
E–O · 1408 Å² buried · 19 hydrogen bonds · protein-protein
L–R · 1388 Å² buried · 14 hydrogen bonds · protein-protein
F–N · 1384 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

6E3B · STRUCTURE OF Siw14 CATALYTIC CORE · the same entry in another collection · chain E against E, 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 P53965
Elsewhere: RCSB PDB 6E3B · PDBe 6E3B · UniProt P53965

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