1O98

1.4A CRYSTAL STRUCTURE OF PHOSPHOGLYCERATE MUTASE FROM BACILLUS STEAROTHERMOPHILUS COMPLEXED WITH 2-PHOSPHOGLYCERATE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004619	molecular_function	phosphoglycerate mutase activity
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006007	biological_process	glucose catabolic process
A	0006096	biological_process	glycolytic process
A	0016853	molecular_function	isomerase activity
A	0030145	molecular_function	manganese ion binding
A	0030435	biological_process	sporulation resulting in formation of a cellular spore
A	0043937	biological_process	regulation of sporulation
A	0046537	molecular_function	2,3-bisphosphoglycerate-independent phosphoglycerate mutase activity
A	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MN A 601

Chain	Residue
A	ASP403
A	HIS407
A	HIS462
A	2PG801

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN A 701

Chain	Residue
A	ASP12
A	SER62
A	ASP444
A	HIS445
A	2PG801

---

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 901

Chain	Residue
A	HIS297
A	SER299
A	GLU300
A	PHE342
A	GLU349
A	HOH2462
A	HOH2463

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 902

Chain	Residue
A	ARG194
A	ASP196
A	ARG197
A	HOH2230
A	HOH2243
A	HOH2464

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 903

Chain	Residue
A	ARG17
A	HOH2466
A	HOH2467
A	HOH2469

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 904

Chain	Residue
A	TYR337
A	GLU351
A	ARG357
A	HOH2470
A	HOH2471
A	HOH2472
A	HOH2473

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 905

Chain	Residue
A	ARG134
A	LYS170
A	TYR174
A	HOH2474

---

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 906

Chain	Residue
A	LYS200
A	ARG203
A	TYR207
A	GLY283
A	PRO284
A	HOH2249
A	HOH2306

---

site_id	AC9
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 2PG A 801

Chain	Residue
A	ASN61
A	SER62
A	HIS123
A	ARG153
A	ASP154
A	ARG185
A	ARG191
A	ARG261
A	ARG264
A	LYS336
A	ASP403
A	HIS407
A	HIS462
A	MN601
A	MN701
A	HOH2461

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Phosphoserine intermediate => ECO:0000269|PubMed:10747010, ECO:0000269|PubMed:10764795, ECO:0000269|PubMed:12729763

Chain	Residue	Details
A	SER62

---

site_id	SWS_FT_FI2
Number of Residues	5
Details	BINDING: BINDING => ECO:0000269|PubMed:10747010, ECO:0000269|PubMed:10764795

Chain	Residue	Details
A	ASP12
A	SER62
A	ARG191
A	ASP444
A	HIS445

---

site_id	SWS_FT_FI3
Number of Residues	7
Details	BINDING: BINDING => ECO:0000269|PubMed:10747010, ECO:0000269|PubMed:10764795, ECO:0000269|PubMed:12729763

Chain	Residue	Details
A	HIS123
A	ARG153
A	ARG185
A	ARG261
A	ASP403
A	HIS407
A	HIS462

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:10747010, ECO:0000269|PubMed:12729763

Chain	Residue	Details
A	LYS336

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	MOD_RES: Phosphotyrosine => ECO:0000255|HAMAP-Rule:MF_01038

Chain	Residue	Details
A	TYR36

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	a catalytic site defined by CSA, PubMed 10747010

Chain	Residue	Details
A	SER62

---

site_id	MCSA1
Number of Residues	10
Details	M-CSA 738

Chain	Residue	Details
A	ASP12	metal ligand
A	HIS462	metal ligand
A	SER62	metal ligand, nucleofuge, nucleophile, proton acceptor, proton donor
A	ASP154	proton acceptor, proton donor
A	ARG261	electrostatic stabiliser
A	LYS336	proton acceptor, proton donor
A	ASP403	metal ligand
A	HIS407	metal ligand
A	ASP444	metal ligand
A	HIS445	metal ligand

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