3RCB

Crystal structure of the K102E 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	2
Details	BINDING SITE FOR RESIDUE CL A 334

Chain	Residue
A	ASN256
A	HIS270

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site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A 335

Chain	Residue
A	ARG323
A	THR324
A	ALA326
A	ASP328
A	HOH420

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site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 A 336

Chain	Residue
A	HOH368
A	HOH438
A	HIS285
A	LYS290

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site_id	AC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE TLO A 337

Chain	Residue
A	ARG23
A	ARG24
A	PHE159
A	PRO162
A	TYR186
A	TYR240
A	ARG257
A	THR260
A	GLN274
A	HOH353
A	HOH394
A	HOH418

---

site_id	AC5
Number of Residues	18
Details	BINDING SITE FOR RESIDUE TLO A 338

Chain	Residue
A	MET126
A	LEU132
A	HIS133
A	HIS137
A	ARG138
A	ALA141
A	ARG189
A	LEU193
A	PHE194
A	GLU307
A	TRP308
A	ASP311
A	HOH359
A	HOH393
A	HOH411
A	HOH434
A	HOH442
A	HOH464

---

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

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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

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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

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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

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