MolNFT v1 · #73310 · protein

Stas domain of ychm bound to acp

3NY7 · Sulfate transporter: “Stas domain of ychm bound to acp”. X-ray diffraction, 1 ligand (SXM), 2 pockets (best druggability 0.41). MolNFT v1 #73310 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3NY7
Type: protein
Length: 195 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sulfate transporter; Acyl carrier protein
UniProt: C9QXZ0, C5W3Z7
Ligands: SXM
Pockets: 2 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sulfate transporter	protein	118	32% helix, 26% strand	C9QXZ0
B	Acyl carrier protein	protein	77	65% helix, 3% strand	C5W3Z7

Ligands and binding sites

SXM · 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid · ligand · chains A, B
GOL · Glycerol · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	102	0.41	0.77	18	SXM
2	62	0.31	0.75	15	empty

Interfaces

1 interface between chains.

A–B · 432 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3NY7 · STAS domain of YchM bound to ACP · 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 C9QXZ0
Every structure of UniProt C5W3Z7
Elsewhere: RCSB PDB 3NY7 · PDBe 3NY7 · UniProt C9QXZ0 · UniProt C5W3Z7

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