MolNFT v1 · #183197 · protein

Crystal structure of native human myeloperoxidase in complex with cpd 9

7NI1: “Crystal structure of native human myeloperoxidase in complex with cpd 9”. X-ray diffraction, 8 ligands (HEM, UEB, NAG). MolNFT v1 #183197 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7NI1
Type: protein
Length: 1,135 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P05164
Ligands: HEM, UEB, NAG, BMA, MAN, FUC, CA, CL

Structure

x-ray diffraction · 3 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	104	—	P05164
B	—	protein	103	—	P05164
C, D	—	protein	464	—	P05164

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, C, B, D
UEB · (S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one · ligand · 2 copies · chains A, C, B, D
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains C, D, B, A
BMA · beta-D-mannopyranose · sugar · 4 copies · chains D, C
MAN · alpha-D-mannopyranose · sugar · 2 copies · chains D, C
FUC · alpha-L-fucopyranose · sugar · 2 copies · chains C, D
CA · Calcium ion · metal · 2 copies · chains A, C, B, D
CL · Chloride ion · ion · 7 copies · chains A, C, B, D

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

Compared structures

7NI1 · Crystal structure of native human myeloperoxidase in complex with cpd 9 · 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 P05164
Elsewhere: RCSB PDB 7NI1 · PDBe 7NI1 · UniProt P05164

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.