1HT6

CRYSTAL STRUCTURE AT 1.5A RESOLUTION OF THE BARLEY ALPHA-AMYLASE ISOZYME 1

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004556	molecular_function	alpha-amylase activity
A	0005509	molecular_function	calcium ion binding
A	0005576	cellular_component	extracellular region
A	0005975	biological_process	carbohydrate metabolic process
A	0005983	biological_process	starch catabolic process
A	0016787	molecular_function	hydrolase activity
A	0016798	molecular_function	hydrolase activity, acting on glycosyl bonds
A	0043169	molecular_function	cation binding
A	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 500

Chain	Residue
A	ASN92
A	ASP139
A	ALA142
A	ASP149
A	GLY184
A	HOH630

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 501

Chain	Residue
A	ASP118
A	HOH604
A	HOH656
A	GLU109
A	THR112
A	ASP114

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 502

Chain	Residue
A	ASP128
A	ASP143
A	PHE144
A	ALA147
A	ASP149
A	HOH788

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 2000

Chain	Residue
A	GLU367
A	HOH748
A	HOH882
A	HOH964
A	HOH984
A	EDO2001

---

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 2001

Chain	Residue
A	SER170
A	ASP171
A	LEU172
A	GLY173
A	HOH748
A	HOH889
A	HOH984
A	EDO2000

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 2002

Chain	Residue
A	TYR52
A	HIS93
A	PHE144
A	ASP180
A	GLU205
A	HOH641
A	HOH711

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 2003

Chain	Residue
A	GLN84
A	ASP175
A	ARG379
A	HOH786
A	HOH814
A	HOH1179
A	HOH1228

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 2004

Chain	Residue
A	LYS217
A	PRO218
A	ALA256
A	HOH830
A	HOH947
A	HOH1389

---

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 2005

Chain	Residue
A	SER16
A	GLY17
A	ARG126
A	THR135
A	ALA136
A	ASN137
A	HOH939
A	HOH1063

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 2006

Chain	Residue
A	ASP61
A	ASP139
A	THR140
A	HOH873
A	HOH1070
A	HOH1270

---

site_id	BC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO A 2007

Chain	Residue
A	HIS45
A	SER46
A	SER48
A	ASN49
A	ALA62
A	LYS64
A	HOH606
A	HOH683
A	HOH1446

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 2008

Chain	Residue
A	GLY76
A	HIS79
A	GLY173
A	HOH889
A	HOH1078
A	HOH1174

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"16030022","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"7901200","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"7901200","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	7
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12906828","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	7
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16030022","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	13
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12906828","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16030022","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17803687","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18588886","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	10
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12906828","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"16030022","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16030022","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17803687","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12906828","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"16030022","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17803687","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"18588886","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	1
Details	Site: {"description":"Transition state stabilizer","evidences":[{"source":"PubMed","id":"7901200","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1amy

Chain	Residue	Details
A	ASP180
A	GLU205

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1amy

Chain	Residue	Details
A	ASP234
A	ASP180

---

site_id	CSA3
Number of Residues	4
Details	Annotated By Reference To The Literature 1amy

Chain	Residue	Details
A	TRP207
A	ASP291
A	ASP180
A	GLU205

---

site_id	CSA4
Number of Residues	5
Details	Annotated By Reference To The Literature 1amy

Chain	Residue	Details
A	ASP291
A	ASP180
A	HIS290
A	ARG178
A	GLU205

---

site_id	CSA5
Number of Residues	4
Details	Annotated By Reference To The Literature 1amy

Chain	Residue	Details
A	ASP291
A	ASP180
A	HIS93
A	GLU205

---

site_id	CSA6
Number of Residues	3
Details	Annotated By Reference To The Literature 1amy

Chain	Residue	Details
A	ASP291
A	ASP180
A	GLU205

---