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The structure of CTR107 protein bound to rhodamine 6G

Analyse The structure of CTR107 protein bound to rhodamine 6G in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5KAX
Type: protein
Length: 315 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CTR107 protein
UniProt: Q8KFZ1
Ligands: RHQ
Pockets: 4 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CTR107 protein	protein	158	27% helix, 39% strand	Q8KFZ1
B	CTR107 protein	protein	157	24% helix, 40% strand	Q8KFZ1

Ligands and binding sites

RHQ · Rhodamine 6G · ligand · 2 copies · chains A, B
GOL · Glycerol · additive · 5 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	207	0.67	0.85	47	GOL
2	251	0.51	0.74	32	RHQ
3	210	0.47	0.74	33	RHQ, GOL
4	57	0.31	0.75	17	GOL

Interfaces

1 interface between chains.

A–B · 957 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

5KAX · The structure of CTR107 protein bound to RHODAMINE 6G · 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 Q8KFZ1
Elsewhere: RCSB PDB 5KAX · PDBe 5KAX · UniProt Q8KFZ1

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