6VIM

P. putida mandelate racemase co-crystallized with phenylboronic acid

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0009063	biological_process	amino acid catabolic process
A	0016052	biological_process	carbohydrate catabolic process
A	0016836	molecular_function	hydro-lyase activity
A	0016853	molecular_function	isomerase activity
A	0018838	molecular_function	mandelate racemase activity
A	0018924	biological_process	mandelate metabolic process
A	0019596	biological_process	mandelate catabolic process
A	0046872	molecular_function	metal ion binding
B	0000287	molecular_function	magnesium ion binding
B	0009063	biological_process	amino acid catabolic process
B	0016052	biological_process	carbohydrate catabolic process
B	0016836	molecular_function	hydro-lyase activity
B	0016853	molecular_function	isomerase activity
B	0018838	molecular_function	mandelate racemase activity
B	0018924	biological_process	mandelate metabolic process
B	0019596	biological_process	mandelate catabolic process
B	0046872	molecular_function	metal ion binding
C	0000287	molecular_function	magnesium ion binding
C	0009063	biological_process	amino acid catabolic process
C	0016052	biological_process	carbohydrate catabolic process
C	0016836	molecular_function	hydro-lyase activity
C	0016853	molecular_function	isomerase activity
C	0018838	molecular_function	mandelate racemase activity
C	0018924	biological_process	mandelate metabolic process
C	0019596	biological_process	mandelate catabolic process
C	0046872	molecular_function	metal ion binding
D	0000287	molecular_function	magnesium ion binding
D	0009063	biological_process	amino acid catabolic process
D	0016052	biological_process	carbohydrate catabolic process
D	0016836	molecular_function	hydro-lyase activity
D	0016853	molecular_function	isomerase activity
D	0018838	molecular_function	mandelate racemase activity
D	0018924	biological_process	mandelate metabolic process
D	0019596	biological_process	mandelate catabolic process
D	0046872	molecular_function	metal ion binding
E	0000287	molecular_function	magnesium ion binding
E	0009063	biological_process	amino acid catabolic process
E	0016052	biological_process	carbohydrate catabolic process
E	0016836	molecular_function	hydro-lyase activity
E	0016853	molecular_function	isomerase activity
E	0018838	molecular_function	mandelate racemase activity
E	0018924	biological_process	mandelate metabolic process
E	0019596	biological_process	mandelate catabolic process
E	0046872	molecular_function	metal ion binding
F	0000287	molecular_function	magnesium ion binding
F	0009063	biological_process	amino acid catabolic process
F	0016052	biological_process	carbohydrate catabolic process
F	0016836	molecular_function	hydro-lyase activity
F	0016853	molecular_function	isomerase activity
F	0018838	molecular_function	mandelate racemase activity
F	0018924	biological_process	mandelate metabolic process
F	0019596	biological_process	mandelate catabolic process
F	0046872	molecular_function	metal ion binding
G	0000287	molecular_function	magnesium ion binding
G	0009063	biological_process	amino acid catabolic process
G	0016052	biological_process	carbohydrate catabolic process
G	0016836	molecular_function	hydro-lyase activity
G	0016853	molecular_function	isomerase activity
G	0018838	molecular_function	mandelate racemase activity
G	0018924	biological_process	mandelate metabolic process
G	0019596	biological_process	mandelate catabolic process
G	0046872	molecular_function	metal ion binding
H	0000287	molecular_function	magnesium ion binding
H	0009063	biological_process	amino acid catabolic process
H	0016052	biological_process	carbohydrate catabolic process
H	0016836	molecular_function	hydro-lyase activity
H	0016853	molecular_function	isomerase activity
H	0018838	molecular_function	mandelate racemase activity
H	0018924	biological_process	mandelate metabolic process
H	0019596	biological_process	mandelate catabolic process
H	0046872	molecular_function	metal ion binding

Functional Information from PROSITE/UniProt

site_id	PS00908
Number of Residues	26
Details	MR_MLE_1 Mandelate racemase / muconate lactonizing enzyme family signature 1. AaAGIDmAAwDAlGKvhetPLvkLLG

Chain	Residue	Details
A	ALA103-GLY128

---

site_id	PS00909
Number of Residues	32
Details	MR_MLE_2 Mandelate racemase / muconate lactonizing enzyme family signature 2. ImvDyNqsldvpaAikrsqaLqqegvtwIEEP

Chain	Residue	Details
A	ILE192-PRO223

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	Active site: {"description":"Proton acceptor; specific for S-mandelate"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	Active site: {"description":"Proton acceptor; specific for R-mandelate"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	32
Details	Binding site: {"evidences":[{"source":"PubMed","id":"7893689","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7893690","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"1892834","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	9
Details	M-CSA 187

Chain	Residue	Details
A	LYS164	electrostatic stabiliser, hydrogen bond donor
A	LYS166	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	ASP195	metal ligand
A	ASN197	electrostatic stabiliser
A	GLU221	metal ligand
A	GLU247	metal ligand
A	ASP270	electrostatic stabiliser, hydrogen bond acceptor, increase basicity
A	HIS297	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	GLU317	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor

---

site_id	MCSA2
Number of Residues	9
Details	M-CSA 187

Chain	Residue	Details
B	LYS164	electrostatic stabiliser, hydrogen bond donor
B	LYS166	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	ASP195	metal ligand
B	ASN197	electrostatic stabiliser
B	GLU221	metal ligand
B	GLU247	metal ligand
B	ASP270	electrostatic stabiliser, hydrogen bond acceptor, increase basicity
B	HIS297	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	GLU317	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor

---

site_id	MCSA3
Number of Residues	9
Details	M-CSA 187

Chain	Residue	Details
C	LYS164	electrostatic stabiliser, hydrogen bond donor
C	LYS166	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	ASP195	metal ligand
C	ASN197	electrostatic stabiliser
C	GLU221	metal ligand
C	GLU247	metal ligand
C	ASP270	electrostatic stabiliser, hydrogen bond acceptor, increase basicity
C	HIS297	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	GLU317	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor

---

site_id	MCSA4
Number of Residues	9
Details	M-CSA 187

Chain	Residue	Details
D	LYS164	electrostatic stabiliser, hydrogen bond donor
D	LYS166	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	ASP195	metal ligand
D	ASN197	electrostatic stabiliser
D	GLU221	metal ligand
D	GLU247	metal ligand
D	ASP270	electrostatic stabiliser, hydrogen bond acceptor, increase basicity
D	HIS297	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	GLU317	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor

---

site_id	MCSA5
Number of Residues	9
Details	M-CSA 187

Chain	Residue	Details
E	LYS164	electrostatic stabiliser, hydrogen bond donor
E	LYS166	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
E	ASP195	metal ligand
E	ASN197	electrostatic stabiliser
E	GLU221	metal ligand
E	GLU247	metal ligand
E	ASP270	electrostatic stabiliser, hydrogen bond acceptor, increase basicity
E	HIS297	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
E	GLU317	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor

---

site_id	MCSA6
Number of Residues	9
Details	M-CSA 187

Chain	Residue	Details
F	LYS164	electrostatic stabiliser, hydrogen bond donor
F	LYS166	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
F	ASP195	metal ligand
F	ASN197	electrostatic stabiliser
F	GLU221	metal ligand
F	GLU247	metal ligand
F	ASP270	electrostatic stabiliser, hydrogen bond acceptor, increase basicity
F	HIS297	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
F	GLU317	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor

---

site_id	MCSA7
Number of Residues	9
Details	M-CSA 187

Chain	Residue	Details
G	LYS164	electrostatic stabiliser, hydrogen bond donor
G	LYS166	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
G	ASP195	metal ligand
G	ASN197	electrostatic stabiliser
G	GLU221	metal ligand
G	GLU247	metal ligand
G	ASP270	electrostatic stabiliser, hydrogen bond acceptor, increase basicity
G	HIS297	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
G	GLU317	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor

---

site_id	MCSA8
Number of Residues	9
Details	M-CSA 187

Chain	Residue	Details
H	LYS164	electrostatic stabiliser, hydrogen bond donor
H	LYS166	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
H	ASP195	metal ligand
H	ASN197	electrostatic stabiliser
H	GLU221	metal ligand
H	GLU247	metal ligand
H	ASP270	electrostatic stabiliser, hydrogen bond acceptor, increase basicity
H	HIS297	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
H	GLU317	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor

---