MolNFT v1 · #44602 · protein

Macromomycin

2MCM: “Macromomycin”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.38). MolNFT v1 #44602 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2MCM
Type: protein
Length: 112 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Macromomycin
UniProt: P01549
Ligands: CA
Pockets: 1 · best druggability 0.38

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 60% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Macromomycin	protein	112	0% helix, 60% strand	P01549

Ligands and binding sites

CA · Calcium ion · metal · chains A
MRD · (4R)-2-methylpentane-2,4-diol · additive · 2 copies · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	135	0.38	0.73	27	MRD, MPD

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

2MCM · Macromomycin · the same entry in another collection · chain A against A, TM-score 1.00
P01549 · AlphaFold monomer V2.0 prediction for macromomycin (P01549) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P01549
Elsewhere: RCSB PDB 2MCM · PDBe 2MCM · UniProt P01549

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