1DIB

HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY345899

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004488	molecular_function	methylenetetrahydrofolate dehydrogenase (NADP+) activity
B	0003824	molecular_function	catalytic activity
B	0004488	molecular_function	methylenetetrahydrofolate dehydrogenase (NADP+) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE NAP A 2001

Chain	Residue
A	THR148
A	MET221
A	CYS236
A	GLY237
A	ILE238
A	VAL275
A	GLY276
A	THR279
A	L343001
A	HOH4001
A	HOH4059
A	GLY172
A	HOH4101
A	ARG173
A	SER174
A	VAL177
A	HIS196
A	SER197
A	THR216
A	GLN218

---

site_id	AC2
Number of Residues	18
Details	BINDING SITE FOR RESIDUE NAP B 2002

Chain	Residue
B	THR1148
B	VAL1171
B	GLY1172
B	ARG1173
B	SER1174
B	HIS1196
B	SER1197
B	LEU1202
B	ALA1215
B	THR1216
B	GLY1217
B	GLN1218
B	MET1221
B	CYS1236
B	GLY1237
B	ILE1238
B	GLY1276
B	HOH4068

---

site_id	AC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE L34 A 3001

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	LEU98
A	VAL99
A	GLN100
A	LEU101
A	ASP125
A	GLY273
A	GLY276
A	PRO277
A	THR279
A	VAL280
A	NAP2001

---

Functional Information from PROSITE/UniProt

site_id	PS00766
Number of Residues	26
Details	THF_DHG_CYH_1 Tetrahydrofolate dehydrogenase/cyclohydrolase signature 1. EsEVMkyItsLNeDstvhgFLVQLPL

Chain	Residue	Details
A	GLU78-LEU103

---

site_id	PS00767
Number of Residues	9
Details	THF_DHG_CYH_2 Tetrahydrofolate dehydrogenase/cyclohydrolase signature 2. PGGVGPMTV

Chain	Residue	Details
A	PRO272-VAL280

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"evidences":[{"source":"PubMed","id":"10828945","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10828945","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DIA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DIB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10828945","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9519408","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1A4I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DIA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DIB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DIG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	289
Details	Region: {"description":"Methylenetetrahydrofolate dehydrogenase and methenyltetrahydrofolate cyclohydrolase (D/C) domain","evidences":[{"source":"PubMed","id":"1881876","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	Annotated By Reference To The Literature 1a4i

Chain	Residue	Details
A	LYS56

---

site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 1a4i

Chain	Residue	Details
B	LYS1056

---

site_id	MCSA1
Number of Residues	3
Details	M-CSA 389

Chain	Residue	Details
A	LYS56	activator
A	GLN100	activator
A	ASP125	electrostatic stabiliser

---

site_id	MCSA2
Number of Residues	3
Details	M-CSA 458

Chain	Residue	Details
A	SER49	activator
A	LYS56	proton shuttle (general acid/base)
A	GLN100	activator

---

site_id	MCSA3
Number of Residues	3
Details	M-CSA 389

Chain	Residue	Details
B	LYS1056	activator
B	GLN1100	activator
B	ASP1125	electrostatic stabiliser

---

site_id	MCSA4
Number of Residues	3
Details	M-CSA 458

Chain	Residue	Details
B	SER1049	activator
B	LYS1056	proton shuttle (general acid/base)
B	GLN1100	activator

---