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MolNFT v1 · #188451 · protein

Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-(METHYLAMINO)PROP-1-yn-1-YL)PYRIDIN-2- amine

7TSK: “Structure of human endothelial nitric oxide synthase heme domain in complex with…”. X-ray diffraction, 6 ligands (HEM, H4B, K9C). MolNFT v1 #188451 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7TSK
Type
protein
Length
1,606 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P29474
Ligands
HEM, H4B, K9C, GD, ZN, CL

Structure

x-ray diffraction · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein400—P29474
B, D—protein402—P29474
C—protein402—P29474

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
  • H4B · 5,6,7,8-tetrahydrobiopterin · ligand · 4 copies · chains A, B, C, D
  • K9C · 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine · ligand · 4 copies · chains A, B, C, D
  • GD · Gadolinium atom · metal · 4 copies · chains B, C, D
  • ZN · Zinc ion · metal · 2 copies · chains A, B, C, D
  • CL · Chloride ion · ion · 4 copies · chains A, B, C, D
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 10 copies · chains A, B, C, D
  • GOL · Glycerol · additive · 6 copies · chains A, B, C, D

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

Compared structures

  • 7TSK · Structure of human endothelial nitric oxide synthase heme domain in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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