MolNFT v2 · #151483 · protein
Crystal structure of Thrombin bound to P2 macrocycle
6GWE: “Crystal structure of Thrombin bound to P2 macrocycle”. X-ray diffraction at 2.3, 3 ligands (ODB, NAG, NA). MolNFT v2 #151483 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6GWE
- Type
- protein
- Length
- 559 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.3
- Source
- Homo sapiens
- UniProt
- P00734
- Ligands
- ODB, NAG, NA
Structure
x-ray diffraction · resolution 2.3 · 4 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 249 | — | P00734 |
| L | — | protein | 30 | — | P00734 |
| H | — | protein | 250 | — | P00734 |
| B | — | protein | 30 | — | P00734 |
Ligands and binding sites
- ODB · (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide · ligand · 2 copies · chains A, H
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, H
- NA · Sodium ion · metal · 2 copies · chains A, H
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, L, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6GWE · Crystal structure of thrombin bound to P2 macrocycle · 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 P00734
- Elsewhere: RCSB PDB 6GWE · PDBe 6GWE · UniProt P00734
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