3RC7

Crystal Structure of the Y186F mutant of KijD10, a 3-ketoreductase from Actinomadura kijaniata in complex with TDP-benzene and NADP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0016491	molecular_function	oxidoreductase activity
A	0017000	biological_process	antibiotic biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NAP A 333

Chain	Residue
A	GLY16
A	TYR63
A	PRO78
A	LEU79
A	PRO80
A	LEU83
A	HIS84
A	GLU101
A	LYS102
A	ILE169
A	ARG170
A	CYS17
A	VAL175
A	ASP182
A	TLO337
A	HOH415
A	HOH416
A	HOH436
A	HOH530
A	HOH531
A	ALA18
A	ASP19
A	ILE20
A	ARG23
A	SER42
A	ARG43
A	ARG47

---

site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 334

Chain	Residue
A	ASN256
A	HIS270

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 335

Chain	Residue
A	ARG323
A	THR324
A	ALA326
A	ASP328

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 A 336

Chain	Residue
A	HIS285
A	LYS290
A	HOH470

---

site_id	AC5
Number of Residues	15
Details	BINDING SITE FOR RESIDUE TLO A 337

Chain	Residue
A	ARG23
A	ARG24
A	PHE159
A	ILE161
A	PRO162
A	TYR240
A	ARG257
A	THR260
A	GLN274
A	NAP333
A	HOH457
A	HOH477
A	HOH478
A	HOH505
A	HOH561

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 338

Chain	Residue
A	LYS102
A	MET130
A	PHE131
A	PHE186

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"21598943","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3RBV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RC1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RC2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RC7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RC9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RCB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	9
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21598943","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3RBV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RC1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RC2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RC7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RC9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RCB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21598943","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"3RC1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RC2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RC7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RC9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RCB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21598943","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3RBV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RC1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RC2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RC7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RCB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21598943","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3RC1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RC7","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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