9ITD

Human MTHFD1 in complex with compound 16a

This is a non-PDB format compatible entry.

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
C	0003824	molecular_function	catalytic activity
C	0004488	molecular_function	methylenetetrahydrofolate dehydrogenase (NADP+) activity
D	0003824	molecular_function	catalytic activity
D	0004488	molecular_function	methylenetetrahydrofolate dehydrogenase (NADP+) activity

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

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: ACT_SITE => ECO:0000269|PubMed:10828945

Chain	Residue	Details
A	LYS56
B	LYS56
C	LYS56
D	LYS56

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269|PubMed:10828945, ECO:0007744|PDB:1DIA, ECO:0007744|PDB:1DIB

Chain	Residue	Details
A	TYR52
D	TYR52
D	VAL99
D	PRO272
A	VAL99
A	PRO272
B	TYR52
B	VAL99
B	PRO272
C	TYR52
C	VAL99
C	PRO272

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269|PubMed:10828945, ECO:0000269|PubMed:9519408, ECO:0007744|PDB:1A4I, ECO:0007744|PDB:1DIA, ECO:0007744|PDB:1DIB, ECO:0007744|PDB:1DIG

Chain	Residue	Details
A	GLY172
A	SER197
B	GLY172
B	SER197
C	GLY172
C	SER197
D	GLY172
D	SER197

---

Catalytic Information from CSA

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	LYS56	activator
B	GLN100	activator
B	ASP125	electrostatic stabiliser

---

site_id	MCSA4
Number of Residues	3
Details	M-CSA 458

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

---

site_id	MCSA5
Number of Residues	3
Details	M-CSA 389

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

---

site_id	MCSA6
Number of Residues	3
Details	M-CSA 458

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

---

site_id	MCSA7
Number of Residues	3
Details	M-CSA 389

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

---

site_id	MCSA8
Number of Residues	3
Details	M-CSA 458

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

---