MolNFT v1 · #72552 · protein

Crystal structure of the CRM1-rangtp complex

3NC1 · GTP-binding nuclear protein ran: “Crystal structure of the CRM1-rangtp complex”. X-ray diffraction, 2 ligands (GTP, MG), 18 pockets (best druggability 0.87). MolNFT v1 #72552 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3NC1
Type: protein
Length: 1,199 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTP-binding nuclear protein ran; Exportin-1
UniProt: P62826, Q6P5F9
Ligands: GTP, MG
Pockets: 18 · best druggability 0.87

Structure

x-ray diffraction · 2 distinct chains · 64% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
C	GTP-binding nuclear protein ran	protein	173	28% helix, 27% strand	P62826
A	Exportin-1	protein	1026	70% helix, 1% strand	Q6P5F9

Ligands and binding sites

GTP · Guanosine-5'-triphosphate · ligand · chains C
MG · Magnesium ion · metal · chains C

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

Pockets

18 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1002	0.87	0.88	129	empty
2	1064	0.80	0.82	117	GTP, MG
3	213	0.67	0.85	24	empty
4	534	0.66	0.77	48	empty
5	143	0.58	0.82	21	empty

Interfaces

1 interface between chains.

C–A · 2744 Å² buried · 33 hydrogen bonds · protein-protein

Compared structures

3NC1 · Crystal structure of the CRM1-RanGTP complex · the same entry in another collection · chain C against C, TM-score 1.00
Q6P5F9 · AlphaFold monomer V2.0 prediction for exportin-1 (Q6P5F9) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 P62826
Every structure of UniProt Q6P5F9
Elsewhere: RCSB PDB 3NC1 · PDBe 3NC1 · UniProt P62826 · UniProt Q6P5F9

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