MolNFT v1 · #46184 · protein

Crystal structure of gltph in complex with tboa

2NWW · 425AA long hypothetical proton glutamate symport protein: “Crystal structure of gltph in complex with tboa”. X-ray diffraction, 1 ligand (TB1), 11 pockets (best druggability 0.88). MolNFT v1 #46184 on GenesisL1: 3D structure…

PDB: 2NWW
Type: protein
Length: 1,221 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 425AA long hypothetical proton glutamate symport protein
UniProt: O59010
Ligands: TB1
Pockets: 11 · best druggability 0.88

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	425AA long hypothetical proton glutamate symport protein	protein	407	72% helix, 0% strand	O59010

Ligands and binding sites

TB1 · (3S)-3-(benzyloxy)-L-aspartic acid · ligand · 3 copies · chains A, B, C

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

Pockets

11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	608	0.88	0.92	38	empty
2	478	0.64	0.77	53	TB1
3	467	0.63	0.77	44	TB1
4	413	0.62	0.76	44	TB1
5	331	0.55	0.74	36	empty

Interfaces

3 interfaces between chains.

B–C · 1066 Å² buried · 11 hydrogen bonds · protein-protein
A–C · 1053 Å² buried · 11 hydrogen bonds · protein-protein
A–B · 1035 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

2NWW · Crystal structure of GltPh in complex with TBOA · the same entry in another collection · chain A against A, TM-score 1.00
O59010 · AlphaFold monomer V2.0 prediction for glutamate transporter homolog (O59010) · a predicted model of the same protein · chain A against A, TM-score 0.94

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 O59010
Elsewhere: RCSB PDB 2NWW · PDBe 2NWW · UniProt O59010

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