MolNFT v1 · #36956 · protein
Crystal structure of nitric oxide synthase from geobacillus stearothermophilus (atcc 12980) complexed with L-arginine
2FLQ: “Crystal structure of nitric oxide synthase from geobacillus stearothermophilus (atcc 12980) complexed with…”. X-ray diffraction, 2 ligands (ARG, HEM), 9 pockets (best druggability 0.81). MolNFT v1 #36956 on GenesisL1: 3D structure…
- PDB
- 2FLQ
- Type
- protein
- Length
- 717 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitric oxide synthase
- EC
- 1.14.13.39
- Ligands
- ARG, HEM
- Pockets
- 9 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitric oxide synthase (EC 1.14.13.39) | protein | 359 | 41% helix, 15% strand | — |
| B | Nitric oxide synthase (EC 1.14.13.39) | protein | 358 | 41% helix, 11% strand | — |
Ligands and binding sites
- ARG · Arginine · ligand · 2 copies · chains A, B
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 832 | 0.81 | 0.83 | 61 | ARG, HEM |
| 2 | 908 | 0.80 | 0.82 | 71 | ARG, HEM |
| 3 | 94 | 0.46 | 0.80 | 24 | empty |
| 4 | 95 | 0.40 | 0.77 | 21 | empty |
| 5 | 87 | 0.39 | 0.77 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1416 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2FLQ · Crystal Structure of Nitric Oxide Synthase from Geobacillus Stearothermophilus (ATCC… · the same entry in another collection · chain B against B, 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 2FLQ · PDBe 2FLQ
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