4V2K

Crystal structure of the thiosulfate dehydrogenase TsdA in complex with thiosulfate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0009055	molecular_function	electron transfer activity
A	0016491	molecular_function	oxidoreductase activity
A	0020037	molecular_function	heme binding
A	0042597	cellular_component	periplasmic space
A	0046872	molecular_function	metal ion binding
A	0050338	molecular_function	thiosulfate dehydrogenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HEM A 600

Chain	Residue
A	HIS78
A	PRO209
A	LEU210
A	PHE216
A	PHE231
A	MET236
A	PRO237
A	LEU238
A	HOH2066
A	PRO81
A	ARG186
A	CYS187
A	CYS190
A	HIS191
A	LEU206
A	PHE207
A	PRO208

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site_id	AC2
Number of Residues	24
Details	BINDING SITE FOR RESIDUE HEM A 601

Chain	Residue
A	LEU59
A	ALA75
A	CYS76
A	CYS79
A	HIS80
A	PHE96
A	LEU116
A	ARG119
A	CSS123
A	PHE124
A	SER127
A	LEU128
A	GLY164
A	ILE165
A	GLU171
A	THR227
A	THJ700
A	HOH2070
A	HOH2071
A	HOH2085
A	HOH2086
A	HOH2109
A	HOH2139
A	HOH2202

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site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE THJ A 700

Chain	Residue
A	ARG109
A	ARG119
A	ASP122
A	CSS123
A	ARG126
A	SER127
A	GLY219
A	ALA220
A	GLY221
A	HEC601
A	HOH2110

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	BINDING: covalent => ECO:0000255|PROSITE-ProRule:PRU00433

Chain	Residue	Details
A	CYS76
A	CYS79
A	CYS187
A	CYS190

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site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: axial binding residue => ECO:0000255|PROSITE-ProRule:PRU00433

Chain	Residue	Details
A	HIS80
A	HIS191

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 986

Chain	Residue	Details
A	ARG109	electrostatic stabiliser, hydrogen bond donor
A	ARG119	electrostatic stabiliser, hydrogen bond donor
A	CSS123	covalently attached, electron pair donor, electrophile, nucleofuge
A	SER127	hydrogen bond donor, transition state stabiliser

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