1ZK7

Crystal Structure of Tn501 MerA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016152	molecular_function	mercury (II) reductase (NADP+) activity
A	0016491	molecular_function	oxidoreductase activity
A	0016668	molecular_function	oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor
A	0045340	molecular_function	mercury ion binding
A	0050660	molecular_function	flavin adenine dinucleotide binding
A	0050661	molecular_function	NADP binding
A	0050787	biological_process	detoxification of mercury ion

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 2001

Chain	Residue
A	ALA322
A	ARG326
A	LYS449
A	GLN453
A	GOL3003
A	HOH4033
A	HOH4206
A	HOH4310

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site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 2002

Chain	Residue
A	ASN272
A	THR273
A	ARG274
A	SER275
A	HOH4057
A	HOH4357
A	HOH4495
A	ARG35

---

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 2003

Chain	Residue
A	TRP164
A	SER172
A	LYS262
A	HOH4036
A	HOH4248
A	HOH4360
A	HOH4364
A	HOH4390

---

site_id	AC4
Number of Residues	39
Details	BINDING SITE FOR RESIDUE FAD A 666

Chain	Residue
A	ILE10
A	GLY11
A	GLY13
A	GLY14
A	ALA15
A	ILE33
A	GLU34
A	ARG35
A	GLY40
A	THR41
A	CYS42
A	GLY46
A	CYS47
A	LYS51
A	GLY115
A	GLU116
A	ALA117
A	ALA145
A	THR146
A	GLY147
A	ARG269
A	LEU276
A	GLY308
A	ASP309
A	GLN315
A	PHE316
A	VAL317
A	TYR318
A	PHE348
A	HOH4000
A	HOH4001
A	HOH4004
A	HOH4008
A	HOH4010
A	HOH4011
A	HOH4044
A	HOH4057
A	HOH4254
A	HOH4351

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site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 3001

Chain	Residue
A	GLN6
A	GLN6
A	GLN29
A	GLN29
A	THR31
A	THR111
A	ARG135
A	HOH4026

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 3002

Chain	Residue
A	SER161
A	TYR163
A	THR165
A	GLU168
A	HOH4165
A	HOH4406

---

site_id	AC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE GOL A 3003

Chain	Residue
A	ALA321
A	THR325
A	GLN453
A	SER463
A	CYS464
A	CYS465
A	ALA466
A	GLY467
A	SO42001
A	HOH4185
A	HOH4407

---

Functional Information from PROSITE/UniProt

site_id	PS00076
Number of Residues	11
Details	PYRIDINE_REDOX_1 Pyridine nucleotide-disulphide oxidoreductases class-I active site. GGtCVnvGCVP

Chain	Residue	Details
A	GLY39-PRO49

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	7
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16114877","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1ZK7","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"APR-2013","submissionDatabase":"PDB data bank","authors":["Dong A.","Falkowaski M.","Malone M.","Miller S.M.","Pai E.F."]}},{"source":"PDB","id":"4K7Z","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1get

Chain	Residue	Details
A	TYR441
A	GLU446

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1get

Chain	Residue	Details
A	CYS42
A	CYS47

---

site_id	MCSA1
Number of Residues	4
Details	M-CSA 277

Chain	Residue	Details
A	CYS42	activator, covalently attached, hydrogen bond acceptor, metal ligand, nucleofuge, nucleophile, proton acceptor, proton donor
A	CYS47	activator, electrofuge, electrophile, metal ligand, nucleofuge, nucleophile, polar interaction
A	CYS464	activator, electrostatic stabiliser, metal ligand, nucleofuge, nucleophile, proton acceptor, proton donor
A	CYS465	activator, covalently attached, electrostatic stabiliser, hydrogen bond acceptor, metal ligand, nucleofuge, nucleophile, proton acceptor, proton donor

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