MolNFT v1 · #159613 · protein
HMCL1 inhibitor complex
6OVC · Induced myeloid leukemia cell differentiation protein mcl- 1: “HMCL1 inhibitor complex”. Solution nmr, 1 ligand (N8J), 1 pocket (best druggability 0.35). MolNFT v1 #159613 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6OVC
- Type
- protein
- Length
- 164 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Induced myeloid leukemia cell differentiation protein mcl- 1
- UniProt
- Q07820
- Ligands
- N8J
- Pockets
- 1 · best druggability 0.35
Structure
solution nmr · 1 distinct chain · 57% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Induced myeloid leukemia cell differentiation protein mcl- 1 | protein | 164 | 57% helix, 0% strand | Q07820 |
Ligands and binding sites
- N8J · (2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 81 | 0.35 | 0.75 | 17 | N8J |
Compared structures
- 6OVC · hMcl1 inhibitor complex · 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 Q07820
- Elsewhere: RCSB PDB 6OVC · PDBe 6OVC · UniProt Q07820
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