MolNFT v1 · #112157 · protein
Crystal structure of escherichia COLI GTPase BIPA/TYPA complexed with GDP
4ZCL · GTP-binding protein TYPA/BIPA: “Crystal structure of escherichia COLI GTPase BIPA/TYPA complexed with GDP”. X-ray diffraction, 3 ligands (NCO, GDP, MG), 19 pockets (best druggability 0.74). MolNFT v1 #112157 on GenesisL1: 3D…
- PDB
- 4ZCL
- Type
- protein
- Length
- 1,122 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTP-binding protein TYPA/BIPA
- UniProt
- P32132
- Ligands
- NCO, GDP, MG
- Pockets
- 19 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | GTP-binding protein TYPA/BIPA | protein | 561 | 20% helix, 34% strand | P32132 |
Ligands and binding sites
- NCO · Cobalt hexammine(iii) · ligand · 4 copies · chains A, B
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 765 | 0.74 | 0.79 | 83 | empty |
| 2 | 696 | 0.73 | 0.79 | 71 | empty |
| 3 | 63 | 0.72 | 0.97 | 23 | empty |
| 4 | 62 | 0.71 | 0.97 | 25 | empty |
| 5 | 265 | 0.66 | 0.83 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 624 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4ZCL · Crystal Structure of Escherichia coli GTPase BipA/TypA Complexed with GDP · 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 P32132
- Elsewhere: RCSB PDB 4ZCL · PDBe 4ZCL · UniProt P32132
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