MolNFT v1 · #33453 · protein
Crystal structure analysis of a fluorescent form of H-RAS P21 in complex with gppnhp
2CL0 · GTPase HRAS: “Crystal structure analysis of a fluorescent form of H-RAS P21 in complex with gppnhp”. X-ray diffraction, 3 ligands (GNP, XY2, MG), 1 pocket (best druggability 0.46). MolNFT v1 #33453 on GenesisL1: 3D structure…
- PDB
- 2CL0
- Type
- protein
- Length
- 166 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTPase HRAS
- UniProt
- P01112
- Ligands
- GNP, XY2, MG
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | GTPase HRAS | protein | 166 | 33% helix, 27% strand | P01112 |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains X
- XY2 · N,N'-dimethyl-N-(acetyl)-N'-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)ethylenediamine · ligand · chains X
- MG · Magnesium ion · metal · 5 copies · chains X
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 145 | 0.46 | 0.77 | 29 | MG, GNP |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2CL0 · CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH GppNHp · the same entry in another collection · chain X against X, 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 P01112
- Elsewhere: RCSB PDB 2CL0 · PDBe 2CL0 · UniProt P01112
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