Structure of PDB 3q80 Chain B

Receptor sequence

>3q80B (length=218) Species: 83332 (Mycobacterium tuberculosis H37Rv)

GEVVAIVPAAGSGERLAVGVPKAFYQLDGQTLIERAVDGLLDSGVVDTVV
VAVPADRTDEARQILGHRAMIVAGGSNRTDTVNLALTVLEPEFVLVHDAA
RALTPPALVARVVEALRDGYAAVVPVLPLSDTIKAVDANGVVLGTPERAG
LRAVQTPQGFTTDLLLRSYQRLPAAEYTDDASLVEHIGGQVQVVDGDPLA
FKITTKLDLLLAQAIVRG

3D structure

• PDB: 3q80 Crystal Structure of Mycobacterium tuberculosis 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD): a candidate antitubercular drug target
• Chain: B
• Resolution: 2.0 Å

Enzymatic activity

• Enzyme Commision number: 2.7.7.60: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	CDM	B	T141 R157	T132 R148
BS02	CDM	B	P13 A14 A15 G16 K27 G80 S81 N82 R83 T86 D107 R110 V163 T165 T191 K215	P8 A9 A10 G11 K22 G75 S76 N77 R78 T81 D98 R101 V154 T156 T178 K202

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0002135 CTP binding
• GO:0003824 catalytic activity
• GO:0005515 protein binding
• GO:0008270 zinc ion binding
• GO:0016779 nucleotidyltransferase activity
• GO:0030145 manganese ion binding
• GO:0050518 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase activity
• GO:0070567 cytidylyltransferase activity

Biological Process

• GO:0008299 isoprenoid biosynthetic process
• GO:0019288 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
• GO:0051484 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway involved in terpenoid biosynthetic process

Cellular Component

• GO:0005886 plasma membrane

External links

• PDB: RCSB:3q80, PDBe:3q80, PDBj:3q80
• PDBsum: 3q80
• UniProt: P9WKG9|ISPD_MYCTU 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (Gene Name=ispD)