1H2J

ENDOGLUCANASE CEL5A IN COMPLEX WITH UNHYDROLYSED AND COVALENTLY LINKED 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-CELLOBIOSIDE AT 1.15 A RESOLUTION

Replaces:  1HF7

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000272	biological_process	polysaccharide catabolic process
A	0004553	molecular_function	hydrolase activity, hydrolyzing O-glycosyl compounds
A	0005975	biological_process	carbohydrate metabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 1307

Chain	Residue
A	ARG53
A	HOH2377
A	HOH2378

---

site_id	AC2
Number of Residues	25
Details	BINDING SITE FOR RESIDUE DCB A 1304

Chain	Residue
A	LEU103
A	ASN138
A	GLU139
A	TRP178
A	TYR202
A	GLU228
A	ALA234
A	THR235
A	GLY236
A	TRP262
A	LYS267
A	GLU269
A	HOH2037
A	HOH2368
A	HOH2369
A	HOH2370
A	HOH2371
A	HOH2372
A	HOH2373
A	GLU22
A	ARG23
A	HIS35
A	TRP39
A	TYR66
A	HIS101

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 1305

Chain	Residue
A	GLU80
A	LYS83
A	GLU84
A	GLU87
A	LYS152
A	GLU156
A	GLN189
A	HOH2135
A	HOH2223
A	HOH2260

---

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 1306

Chain	Residue
A	SER13
A	ASN168
A	GLY204
A	ALA233
A	HOH2013
A	HOH2015
A	HOH2038
A	HOH2374
A	HOH2375
A	HOH2376

---

Functional Information from PROSITE/UniProt

site_id	PS00659
Number of Residues	10
Details	GLYCOSYL_HYDROL_F5 Glycosyl hydrolases family 5 signature. VIYEIANEPN

Chain	Residue	Details
A	VAL132-ASN141

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"12595701","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"9485319","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"9718293","evidenceCode":"ECO:0000305"},{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"journal article","publicationDate":"1999","firstPage":"2621","lastPage":"2622","volume":"121","journal":"J. Am. Chem. Soc.","title":"Lateral protonation of a glycosidase inhibitor. Structure of the Bacillus agaradhaerens Cel5A in complex with a cellobiose-derived imidazole at 0.97 A resolution.","authors":["Varrot A.","Schulein M.","Pipelier M.","Vasella A.","Davies G.J."],"citationCrossReferences":[{"database":"DOI","id":"10.1021/ja984238n"}]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"12595701","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9485319","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9718293","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"1999","firstPage":"2621","lastPage":"2622","volume":"121","journal":"J. Am. Chem. Soc.","title":"Lateral protonation of a glycosidase inhibitor. Structure of the Bacillus agaradhaerens Cel5A in complex with a cellobiose-derived imidazole at 0.97 A resolution.","authors":["Varrot A.","Schulein M.","Pipelier M.","Vasella A.","Davies G.J."],"citationCrossReferences":[{"database":"DOI","id":"10.1021/ja984238n"}]}},{"source":"PDB","id":"1H11","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QI2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5A3H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6A3H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"8A3H","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12595701","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9485319","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9718293","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1HF6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2A3H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3A3H","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12595701","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9485319","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9718293","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1HF6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QI0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2A3H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3A3H","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12595701","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9718293","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"1999","firstPage":"2621","lastPage":"2622","volume":"121","journal":"J. Am. Chem. Soc.","title":"Lateral protonation of a glycosidase inhibitor. Structure of the Bacillus agaradhaerens Cel5A in complex with a cellobiose-derived imidazole at 0.97 A resolution.","authors":["Varrot A.","Schulein M.","Pipelier M.","Vasella A.","Davies G.J."],"citationCrossReferences":[{"database":"DOI","id":"10.1021/ja984238n"}]}},{"source":"PDB","id":"1HF6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3A3H","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12595701","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9718293","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1HF6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3A3H","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12595701","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9485319","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9718293","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"1999","firstPage":"2621","lastPage":"2622","volume":"121","journal":"J. Am. Chem. Soc.","title":"Lateral protonation of a glycosidase inhibitor. Structure of the Bacillus agaradhaerens Cel5A in complex with a cellobiose-derived imidazole at 0.97 A resolution.","authors":["Varrot A.","Schulein M.","Pipelier M.","Vasella A.","Davies G.J."],"citationCrossReferences":[{"database":"DOI","id":"10.1021/ja984238n"}]}},{"source":"PDB","id":"1H5V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HF6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QI0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2A3H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3A3H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"8A3H","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	5
Details	Annotated By Reference To The Literature 1bqc

Chain	Residue	Details
A	ASN138
A	GLU228
A	HIS200
A	GLU139
A	TYR202

---

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

Chain	Residue	Details
A	GLU139

---