MolNFT v1 · #166164 · protein

Crystal structure of C148 mgfp-ncdna-1

6UHP: “Crystal structure of C148 mgfp-ncdna-1”. X-ray diffraction, 1 ligand (CRO), 4 pockets (best druggability 0.84). MolNFT v1 #166164 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6UHP
Type: protein
Length: 448 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: C148 mgfp-ncdna-1
Ligands: CRO
Pockets: 4 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	C148 mgfp-ncdna-1	protein	224	11% helix, 51% 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

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	523	0.84	0.90	78	CRO
2	126	0.80	0.98	24	CRO
3	127	0.37	0.73	19	empty
4	63	0.34	0.77	13	empty

Interfaces

1 interface between chains.

A–B · 56 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 cofactor (chromophore).

Compared structures

6UHP · Crystal Structure of C148 mGFP-ncDNA-1 · 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 6UHP · PDBe 6UHP

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