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Structure of tolc in complex with hexamminecobalt

Analyse Structure of tolc in complex with hexamminecobalt in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1TQQ
Type: protein
Length: 1,284 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Outer membrane protein tolc
UniProt: P02930
Ligands: NCO
Pockets: 14 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 68% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Outer membrane protein tolc	protein	428	68% helix, 15% strand	P02930

Ligands and binding sites

NCO · Cobalt hexammine(iii) · ligand · chains A, B, C

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

Pockets

14 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	938	0.73	0.77	118	NCO
2	182	0.49	0.76	25	empty
3	191	0.48	0.75	27	empty
4	161	0.46	0.75	24	empty
5	83	0.37	0.77	14	empty

Interfaces

3 interfaces between chains.

B–C · 2570 Å² buried · 51 hydrogen bonds · protein-protein
A–B · 2562 Å² buried · 43 hydrogen bonds · protein-protein
A–C · 2562 Å² buried · 45 hydrogen bonds · protein-protein

Compared structures

1TQQ · Structure of TolC in complex with hexamminecobalt · the same entry in another collection · chain A against A, TM-score 1.00
P02930 · AlphaFold monomer V2.0 prediction for outer membrane protein tolc (P02930) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P02930
Elsewhere: RCSB PDB 1TQQ · PDBe 1TQQ · UniProt P02930

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