6R62

Crystal structure of a class II pyruvate aldolase from Sphingomonas wittichii RW1 in complex with hydroxypyruvate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0005737	cellular_component	cytoplasm
A	0016829	molecular_function	lyase activity
A	0016832	molecular_function	aldehyde-lyase activity
A	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	binding site for residue 3PY A 301

Chain	Residue
A	ARG69
A	MG304
A	HOH450
A	HOH481
A	HOH552
A	MET143
A	GLU145
A	ILE167
A	GLY168
A	PRO169
A	THR170
A	ASP171
A	PHE210

---

site_id	AC2
Number of Residues	7
Details	binding site for residue 3PY A 302

Chain	Residue
A	PHE117
A	SER123
A	SER128
A	TYR130
A	LEU131
A	HOH406
A	HOH521

---

site_id	AC3
Number of Residues	7
Details	binding site for residue ACT A 303

Chain	Residue
A	ARG97
A	GLN101
A	ALA151
A	VAL159
A	ASP160
A	HOH401
A	HOH794

---

site_id	AC4
Number of Residues	6
Details	binding site for residue MG A 304

Chain	Residue
A	SER116
A	GLU145
A	ASP171
A	3PY301
A	HOH450
A	HOH481

---

site_id	AC5
Number of Residues	4
Details	binding site for residue BR A 306

Chain	Residue
A	ASP34
A	ARG242
A	HOH540
A	HOH648

---

site_id	AC6
Number of Residues	6
Details	binding site for residue K A 307

Chain	Residue
A	ALA31
A	LEU33
A	TYR35
A	GLY63
A	HOH599
A	HOH646

---

site_id	AC7
Number of Residues	7
Details	binding site for residue K A 308

Chain	Residue
A	LEU150
A	ALA151
A	SER158
A	ASP160
A	HOH411
A	HOH506
A	HOH554

---

site_id	AC8
Number of Residues	6
Details	binding site for residue NA A 309

Chain	Residue
A	HOH438
A	HOH438
A	HOH438
A	HOH523
A	HOH523
A	HOH523

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"UniProtKB","id":"Q47098","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"36214476","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"2019","firstPage":"2649","lastPage":"2649","volume":"361","journal":"Adv. Synth. Catal.","title":"CH-pi Interactions Promote the Conversion of Hydroxypyruvate in a Class II Pyruvate Aldolase.","authors":["Marsden S.R.","Mestrom L.","Bento I.","Hagedoorn P.L.","McMillan D.G.G.","Hanefeld U."],"citationCrossReferences":[{"database":"DOI","id":"10.1002/adsc.201900205"}]}},{"source":"PDB","id":"6R62","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7NNK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7O5V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"8ADQ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"36214476","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"2019","firstPage":"2649","lastPage":"2649","volume":"361","journal":"Adv. Synth. Catal.","title":"CH-pi Interactions Promote the Conversion of Hydroxypyruvate in a Class II Pyruvate Aldolase.","authors":["Marsden S.R.","Mestrom L.","Bento I.","Hagedoorn P.L.","McMillan D.G.G.","Hanefeld U."],"citationCrossReferences":[{"database":"DOI","id":"10.1002/adsc.201900205"}]}},{"source":"PDB","id":"6R62","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7NNK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7NR1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7NUJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"8ADQ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Site: {"description":"Transition state stabilizer","evidences":[{"source":"UniProtKB","id":"Q47098","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Site: {"description":"Increases basicity of active site His","evidences":[{"source":"UniProtKB","id":"Q47098","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Site: {"description":"Improves activity by CH-pi interactions","evidences":[{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"journal article","publicationDate":"2019","firstPage":"2649","lastPage":"2649","volume":"361","journal":"Adv. Synth. Catal.","title":"CH-pi Interactions Promote the Conversion of Hydroxypyruvate in a Class II Pyruvate Aldolase.","authors":["Marsden S.R.","Mestrom L.","Bento I.","Hagedoorn P.L.","McMillan D.G.G.","Hanefeld U."],"citationCrossReferences":[{"database":"DOI","id":"10.1002/adsc.201900205"}]}}]}

Chain

Residue

Details

---