MolNFT v1 · #39993 · protein
CD11A (LFA1) I-domain complexed with bms-587101 aka 5-[(5S, 9R)-9-(4- cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7- triazaspiro [4.4]NON-7-YL]METHYL]-3-thiophenecarboxylicacid
2ICA · Integrin alpha-L: “CD11A (LFA1) I-domain complexed with bms-587101 aka 5-[(5S, 9R)-9-(4…”. X-ray diffraction, 1 ligand (2IC), 1 pocket (best druggability 0.64). MolNFT v1 #39993 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2ICA
- Type
- protein
- Length
- 179 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integrin alpha-L
- UniProt
- P20701
- Ligands
- 2IC
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Integrin alpha-L | protein | 179 | 40% helix, 23% strand | P20701 |
Ligands and binding sites
- 2IC · 5-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 185 | 0.64 | 0.83 | 22 | 2IC |
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 P20701
- Elsewhere: RCSB PDB 2ICA · PDBe 2ICA · UniProt P20701
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