MolNFT v1 · #155628 · protein

Crystal structure of CYP116B46-N(20-445) from tepidiphilus thermophilus in complex with heme

6LDL · Cytochrome P450: “Crystal structure of CYP116B46-N(20-445) from tepidiphilus thermophilus in complex with heme”. X-ray diffraction, 2 ligands (HEM, BCN), 5 pockets (best druggability 0.84). MolNFT v1 #155628 on GenesisL1: 3D…

PDB: 6LDL
Type: protein
Length: 418 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450
UniProt: A0A0K6ITW2
Ligands: HEM, BCN
Pockets: 5 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450	protein	418	53% helix, 8% strand	A0A0K6ITW2

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
BCN · Bicine · ligand · chains A
GOL · Glycerol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	721	0.84	0.87	74	HEM, GOL
2	71	0.45	0.82	23	empty
3	133	0.43	0.76	21	empty
4	66	0.38	0.79	17	empty
5	72	0.31	0.74	18	empty

Compared structures

6LDL · Crystal structure of CYP116B46-N(20-445) from Tepidiphilus thermophilus in complex with… · 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 A0A0K6ITW2
Elsewhere: RCSB PDB 6LDL · PDBe 6LDL · UniProt A0A0K6ITW2

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