1ITX

Catalytic Domain of Chitinase A1 from Bacillus circulans WL-12

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004553	molecular_function	hydrolase activity, hydrolyzing O-glycosyl compounds
A	0005975	biological_process	carbohydrate metabolic process
A	0008061	molecular_function	chitin binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 1001

Chain	Residue
A	GLY87
A	PRO89
A	ARG169
A	HOH1034
A	HOH1094
A	HOH1270
A	HOH1380
A	HOH1561

---

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 1002

Chain	Residue
A	ASN113
A	THR179
A	ARG387
A	TRP389
A	GLU413
A	GOL1011
A	HOH1059
A	HOH1748
A	TRP82

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 1003

Chain	Residue
A	THR128
A	ASP132
A	THR133
A	TRP134
A	THR176
A	ALA177
A	ASP391
A	LYS394
A	HOH1052
A	HOH1588

---

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 1004

Chain	Residue
A	ASP343
A	GLY344
A	ASN403
A	LYS404
A	ARG405
A	SER424
A	LYS425
A	HOH1133
A	HOH1359
A	HOH1761

---

site_id	AC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 1005

Chain	Residue
A	ASN59
A	ASN61
A	ASP64
A	VAL207
A	PRO218
A	LYS221
A	HOH1169
A	HOH1191
A	HOH1755

---

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 1006

Chain	Residue
A	ASN83
A	ASN110
A	PRO112
A	ASN113
A	ASN381
A	HOH1103
A	HOH1195
A	HOH1468

---

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 1007

Chain	Residue
A	TYR49
A	PHE77
A	ASP202
A	GLU204
A	ALA251
A	MET277
A	TYR279
A	TRP433
A	HOH1104
A	HOH1230

---

site_id	AC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 1008

Chain	Residue
A	LEU33
A	GLN34
A	PRO35
A	GLY253
A	ALA254
A	MET277
A	TYR279
A	ASP280
A	HOH1759
A	HOH1766

---

site_id	AC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE GOL A 1009

Chain	Residue
A	ILE138
A	ASN143
A	ASN146
A	LYS193
A	GLN347
A	HOH1097
A	HOH1198
A	HOH1248
A	HOH1309
A	HOH1387
A	HOH1465

---

site_id	BC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 1010

Chain	Residue
A	ASN195
A	ASP242
A	GLN347
A	ALA348
A	GLY349
A	HOH1069
A	HOH1152
A	HOH1537

---

site_id	BC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE GOL A 1011

Chain	Residue
A	HOH1043
A	HOH1411
A	HOH1426
A	HOH1742
A	HOH1762
A	HOH1767
A	TRP82
A	ASN83
A	ARG387
A	TYR388
A	TRP389
A	GOL1002

---

Functional Information from PROSITE/UniProt

site_id	PS01095
Number of Residues	9
Details	GH18_1 Glycosyl hydrolases family 18 (GH18) active site signature. FDGVDLDwE

Chain	Residue	Details
A	PHE196-GLU204

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PROSITE-ProRule","id":"PRU01258","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	9
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01258","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	a catalytic site defined by CSA, PubMed Tews1997, 8103047

Chain	Residue	Details
A	GLU204
A	ASP200

---

site_id	MCSA1
Number of Residues	4
Details	M-CSA 817

Chain	Residue	Details
A	ASP200	electrostatic stabiliser
A	ASP202	electrostatic stabiliser, steric role
A	GLU204	activator, increase nucleophilicity, promote heterolysis, proton acceptor, proton donor
A	TYR279	electrostatic stabiliser, steric role

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