MolNFT v1 · #164449 · protein
Crystal structure of carbonic anhydrase 2 with (3AR,4S,9BS)-4-(2- chloro-4-hydroxyphenyl)-3A,4,5,9B-tetrahydro-3H- CYCLOPENTA[C]QUINOLINE-8-sulfonamide
6SYB: “Crystal structure of carbonic anhydrase 2 with (3AR,4S,9BS)-4-(2…”. X-ray diffraction, 2 ligands (LYQ, ZN), 2 pockets (best druggability 0.63). MolNFT v1 #164449 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6SYB
- Type
- protein
- Length
- 258 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase 2
- EC
- 4.2.1.1
- UniProt
- P00918
- Ligands
- LYQ, ZN
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 2 (EC 4.2.1.1) | protein | 258 | 16% helix, 31% strand | P00918 |
Ligands and binding sites
- LYQ · (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 252 | 0.63 | 0.81 | 29 | GOL, LYQ |
| 2 | 59 | 0.28 | 0.74 | 13 | empty |
Compared structures
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 P00918
- Elsewhere: RCSB PDB 6SYB · PDBe 6SYB · UniProt P00918
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