MolNFT v1 · #65034 · protein

X-ray structure of photobleached killerred

3GL4: “X-ray structure of photobleached killerred”. X-ray diffraction, 1 ligand (CRQ), 7 pockets (best druggability 0.79). MolNFT v1 #65034 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3GL4
Type: protein
Length: 458 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Killerred
UniProt: Q2TCH5
Ligands: CRQ
Pockets: 7 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Killerred	protein	229	7% helix, 52% strand	Q2TCH5

Ligands and binding sites

CRQ · [2-(3-carbamoyl-1-imino-propyl)-4-(4-hydroxy-benzylidene)-5-oxo-4,5-dihydro-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

7 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	109	0.79	0.98	32	CRQ
2	116	0.78	0.97	32	CRQ
3	119	0.46	0.78	23	empty
4	80	0.37	0.77	18	empty
5	73	0.34	0.76	16	empty

Interfaces

1 interface between chains.

A–B · 1651 Å² buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 cofactor (chromophore).

Compared structures

3GL4 · X-ray structure of photobleached killerred · 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
Every structure of UniProt Q2TCH5
Elsewhere: RCSB PDB 3GL4 · PDBe 3GL4 · UniProt Q2TCH5

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