MolNFT v1 · #54360 · protein

The X-ray structure of CTP:INOSITOL-1-phosphate cytidylyltransferase from archaeoglobus fulgidus

2XME · CTP-inositol-1-phosphate cytidylyltransferase: “The X-ray structure of CTP:INOSITOL-1-phosphate cytidylyltransferase from archaeoglobus fulgidus”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1 #54360 on…

PDB: 2XME
Type: protein
Length: 2,407 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CTP-inositol-1-phosphate cytidylyltransferase
UniProt: O29976
Pockets: 20 · best druggability 0.78

Structure

x-ray diffraction · 12 distinct chains · 29% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CTP-inositol-1-phosphate cytidylyltransferase	protein	201	29% helix, 33% strand	O29976
B	CTP-inositol-1-phosphate cytidylyltransferase	protein	198	30% helix, 32% strand	O29976
C	CTP-inositol-1-phosphate cytidylyltransferase	protein	199	28% helix, 32% strand	O29976
D	CTP-inositol-1-phosphate cytidylyltransferase	protein	201	30% helix, 32% strand	O29976
E	CTP-inositol-1-phosphate cytidylyltransferase	protein	204	29% helix, 34% strand	O29976
F	CTP-inositol-1-phosphate cytidylyltransferase	protein	208	28% helix, 32% strand	O29976
G	CTP-inositol-1-phosphate cytidylyltransferase	protein	199	28% helix, 33% strand	O29976
H	CTP-inositol-1-phosphate cytidylyltransferase	protein	198	30% helix, 33% strand	O29976
I	CTP-inositol-1-phosphate cytidylyltransferase	protein	199	27% helix, 31% strand	O29976
J	CTP-inositol-1-phosphate cytidylyltransferase	protein	200	29% helix, 34% strand	O29976
K	CTP-inositol-1-phosphate cytidylyltransferase	protein	200	30% helix, 33% strand	O29976
L	CTP-inositol-1-phosphate cytidylyltransferase	protein	200	28% helix, 31% strand	O29976

Ligands and binding sites

GOL · Glycerol · additive · 8 copies · chains A, B, C, D, E, G, I, L

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1083	0.78	0.80	110	empty
2	552	0.78	0.85	57	empty
3	808	0.77	0.81	93	empty
4	780	0.76	0.81	88	empty
5	519	0.75	0.83	58	GOL

Interfaces

21 interfaces between chains.

E–F · 1167 Å² buried · 20 hydrogen bonds · protein-protein
K–L · 1034 Å² buried · 15 hydrogen bonds · protein-protein
I–J · 1028 Å² buried · 18 hydrogen bonds · protein-protein
G–H · 953 Å² buried · 16 hydrogen bonds · protein-protein
C–D · 932 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

2XME · The X-ray structure of CTP:inositol-1-phosphate cytidylyltransferase from Archaeoglobus… · the same entry in another collection · chain L against L, 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 O29976
Elsewhere: RCSB PDB 2XME · PDBe 2XME · UniProt O29976

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