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Crystal structure of the starter condensation domain of rhizomide synthetase rzma mutant H140A/R148A in complex with C8-CoA

Analyse Crystal structure of the starter condensation domain of rhizomide synthetase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7C1R
Type: protein
Length: 428 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Non-ribosomal peptide synthetase modules
EC: 6.3.2.-
UniProt: E5ATN9
Ligands: CO8
Pockets: 3 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Non-ribosomal peptide synthetase modules (EC 6.3.2.-)	protein	428	39% helix, 23% strand	E5ATN9

Ligands and binding sites

CO8 · Octanoyl-coenzyme A · ligand · chains A
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	938	0.84	0.85	96	CO8
2	77	0.44	0.80	15	empty
3	55	0.31	0.76	14	empty

Compared structures

7C1R · Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant… · 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 E5ATN9
Elsewhere: RCSB PDB 7C1R · PDBe 7C1R · UniProt E5ATN9

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