MolNFT v1 · #166163 · protein

Crystal structure of C148 mgfp-cdna-2

6UHO: “Crystal structure of C148 mgfp-cdna-2”. X-ray diffraction, 2 ligands (CRO, UNL), 4 pockets (best druggability 0.77). MolNFT v1 #166163 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6UHO
Type: protein
Length: 450 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: C148 mgfp-cdna-2
Ligands: CRO, UNL
Pockets: 4 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	C148 mgfp-cdna-2	protein	225	13% helix, 53% strand	—
B	C148 mgfp-cdna-2	protein	225	11% helix, 53% strand	—

Ligands and binding sites

CRO · {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · 2 copies · chains A, B
UNL · Unknown ligand · ion · 2 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	92	0.77	0.98	27	CRO
2	89	0.76	0.97	24	CRO
3	371	0.68	0.81	37	empty
4	56	0.48	0.86	21	empty

Interfaces

1 interface between chains.

A–B · 837 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 cofactor (chromophore).

Compared structures

6UHO · Crystal Structure of C148 mGFP-cDNA-2 · the same entry in another collection · chain A against A, 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
Elsewhere: RCSB PDB 6UHO · PDBe 6UHO

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