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Structure of BT1526, a myo-inositol-1-phosphate synthase

Analyse Structure of BT1526, a myo-inositol-1-phosphate synthase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7NWR
Type: protein
Length: 852 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Inositol-3-phosphate synthase
UniProt: A0A139K9L9
Ligands: NAD, NA
Pockets: 7 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, A	Inositol-3-phosphate synthase	protein	426	43% helix, 18% strand	A0A139K9L9

Ligands and binding sites

NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains B, A
NA · Sodium ion · metal · chains B

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

Pockets

7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	337	0.84	0.94	55	NAD
2	326	0.84	0.94	61	NAD
3	409	0.76	0.85	39	empty
4	383	0.73	0.84	42	empty
5	205	0.54	0.78	30	empty

Interfaces

1 interface between chains.

B–A · 3401 Å² buried · 40 hydrogen bonds · protein-protein

Compared structures

7NWR · Structure of BT1526, a myo-inositol-1-phosphate synthase · the same entry in another collection · chain B against B, 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 A0A139K9L9
Elsewhere: RCSB PDB 7NWR · PDBe 7NWR · UniProt A0A139K9L9

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