Structure of PDB 4woe Chain A

Receptor sequence

>4woeA (length=716) Species: 6183 (Schistosoma mansoni)

MQVESLQNLQVKIRNDERNHSLTKKYLTDDIVKKYQATKTSLGGTLAQCV
NTNAYNPGALLPRSCDLNAYETFRDFFDAVIADYHKVPDGKIQHPKSNFG
DLKSLSFTDLNTYGNLVVSTRVRLGRTVEGFGFGPTLTKETRIELENKIS
TALHNLSGEYEGTYYPLTGMSEEDRIKLVNDHFLFRNDDNVLRDAGGYID
WPTGRGIFINKQKNFLVWINEEDHIRVISMQKGGGLTAVYKRLADAIQEL
SKSLKFAFNDRLGFITFCPSNLGTTLRASVHAKIPMLASLPNFKEICEKH
GIQPRGTHGEHTESVGGIYDLSNKRRLGLTELDAVTEMHSGVRALLELEV
MLQEYNKGAPEGVMPVEPLTYLAKLLEGASIEKCYTRKYLTPEIIKKYDG
KRTTHGATLAHMIRNGAYNNRSICPRTGEAECYSTFIDYLDPLICDYHGV
KDSAFKHPAPTFGDLSKLPFGDLDPTGKFIVSTRVRVGRSVEGFLFPTIM
SKTDRIKLEQVISGALKGLTGEHAGTYYPLTDMKEEDRKQLVEDHFLFKN
DDPVLRDAGGYRDWPVGRGIFHNNSKTFLVWVCEEDHMRIISMQQGGNLA
AVYKRLIEGINAIGKSMKFAHSDKYGYITCCPSNLGTSMRASVLLKIPKL
SSQPKKLDEICAKYMLQARGLYGEHTESPDGTYDISNKRRLGLTELQAAH
EMAEGVAKMIEIEKGL

3D structure

• PDB: 4woe The Substrate-free and -bound Crystal Structures of the Duplicated Taurocyamine Kinase from the Human Parasite Schistosoma mansoni.
• Chain: A
• Resolution: 2.3 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): R486 E585 R589 C631 S633 R640 R669 E674
• Catalytic site (residue number reindexed from 1): R486 E585 R589 C631 S633 R640 R669 E674
• Enzyme Commision number: 2.7.3.4: taurocyamine kinase.

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	ADP	A	S119 R121 R123 H182 M230 R277 S279 V280 H281 R305 E310 D320	S119 R121 R123 H182 M230 R277 S279 V280 H281 R305 E310 D320	MOAD: Kd=3.8uM
BS02	ADP	A	S482 R484 R486 H545 R589 R640 S642 V643 L644 R669 Y672 G673 D684	S482 R484 R486 H545 R589 R640 S642 V643 L644 R669 Y672 G673 D684	MOAD: Kd=3.8uM
BS03	3S5	A	A59 L60 L61 R63 C268 S270	A59 L60 L61 R63 C268 S270
BS04	3S5	A	S422 I423 C424 R426 E585 C631 E674 H675	S422 I423 C424 R426 E585 C631 E674 H675

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004111 creatine kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0016491 oxidoreductase activity
• GO:0016772 transferase activity, transferring phosphorus-containing groups
• GO:0046872 metal ion binding
• GO:0050324 taurocyamine kinase activity

Biological Process

• GO:0016310 phosphorylation
• GO:0046314 phosphocreatine biosynthetic process

External links

• PDB: RCSB:4woe, PDBe:4woe, PDBj:4woe
• PDBsum: 4woe
• PubMed: 25837252
• UniProt: P16641|KTRC_SCHMA Taurocyamine kinase (Gene Name=Smp_194770)