MolNFT v1 · #126834 · protein

MCL1 Fab complex in complex with compound 29

5MES: “MCL1 Fab complex in complex with compound 29”. X-ray diffraction, 1 ligand (7LT). MolNFT v1 #126834 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5MES
Type: protein
Length: 577 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P97287, Q07820
Ligands: 7LT

Structure

x-ray diffraction · 3 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	151	—	P97287, Q07820
H	—	protein	213	—	—
L	—	protein	213	—	—

Ligands and binding sites

7LT · (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl) methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21, 23-triene-3,7,15,26-tetrone · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

5MES · MCL1 Fab complex in complex with compound 29 · the same entry in another collection · chain H against H, TM-score 1.00
P97287 · AlphaFold monomer V2.0 prediction for induced myeloid leukemia cell differentiation… · a predicted model of the same protein · chain A against A, TM-score 0.97

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 P97287
Every structure of UniProt Q07820
Elsewhere: RCSB PDB 5MES · PDBe 5MES · UniProt P97287 · UniProt Q07820

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