6IO0

Human IDH1 R132C mutant complexed with compound A.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0004450	molecular_function	isocitrate dehydrogenase (NADP+) activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005777	cellular_component	peroxisome
A	0005782	cellular_component	peroxisomal matrix
A	0005829	cellular_component	cytosol
A	0006097	biological_process	glyoxylate cycle
A	0006099	biological_process	tricarboxylic acid cycle
A	0006102	biological_process	isocitrate metabolic process
A	0006103	biological_process	2-oxoglutarate metabolic process
A	0006739	biological_process	NADP+ metabolic process
A	0006740	biological_process	NADPH regeneration
A	0008585	biological_process	female gonad development
A	0016491	molecular_function	oxidoreductase activity
A	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
A	0034774	cellular_component	secretory granule lumen
A	0042802	molecular_function	identical protein binding
A	0042803	molecular_function	protein homodimerization activity
A	0045296	molecular_function	cadherin binding
A	0046872	molecular_function	metal ion binding
A	0048545	biological_process	response to steroid hormone
A	0050661	molecular_function	NADP binding
A	0051287	molecular_function	NAD binding
A	0070062	cellular_component	extracellular exosome
A	1904724	cellular_component	tertiary granule lumen
A	1904813	cellular_component	ficolin-1-rich granule lumen
B	0000287	molecular_function	magnesium ion binding
B	0004450	molecular_function	isocitrate dehydrogenase (NADP+) activity
B	0005515	molecular_function	protein binding
B	0005576	cellular_component	extracellular region
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005777	cellular_component	peroxisome
B	0005782	cellular_component	peroxisomal matrix
B	0005829	cellular_component	cytosol
B	0006097	biological_process	glyoxylate cycle
B	0006099	biological_process	tricarboxylic acid cycle
B	0006102	biological_process	isocitrate metabolic process
B	0006103	biological_process	2-oxoglutarate metabolic process
B	0006739	biological_process	NADP+ metabolic process
B	0006740	biological_process	NADPH regeneration
B	0008585	biological_process	female gonad development
B	0016491	molecular_function	oxidoreductase activity
B	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
B	0034774	cellular_component	secretory granule lumen
B	0042802	molecular_function	identical protein binding
B	0042803	molecular_function	protein homodimerization activity
B	0045296	molecular_function	cadherin binding
B	0046872	molecular_function	metal ion binding
B	0048545	biological_process	response to steroid hormone
B	0050661	molecular_function	NADP binding
B	0051287	molecular_function	NAD binding
B	0070062	cellular_component	extracellular exosome
B	1904724	cellular_component	tertiary granule lumen
B	1904813	cellular_component	ficolin-1-rich granule lumen

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	binding site for residue AOU A 501

Chain	Residue
A	ALA111
A	HOH620
B	SER280
A	ARG119
A	LEU120
A	TRP124
A	ILE130
A	MET259
A	TRP267
A	VAL281
A	HOH607

---

site_id	AC2
Number of Residues	18
Details	binding site for residue NDP A 502

Chain	Residue
A	LYS72
A	ALA74
A	THR75
A	THR77
A	ARG82
A	ASN96
A	GLU306
A	HIS309
A	GLY310
A	THR311
A	VAL312
A	THR313
A	HIS315
A	THR327
A	ASN328
A	CIT503
A	HOH611
A	HOH626

---

site_id	AC3
Number of Residues	5
Details	binding site for residue CIT A 503

Chain	Residue
A	THR77
A	SER94
A	ASN96
A	ARG100
A	NDP502

---

site_id	AC4
Number of Residues	4
Details	binding site for residue CIT A 504

Chain	Residue
A	LEU168
A	VAL169
A	HIS170
A	ASN171

---

site_id	AC5
Number of Residues	6
Details	binding site for residue GOL A 505

Chain	Residue
A	SER6
A	GLY7
A	GLY8
A	GLU36
A	LEU37
A	ASP38

---

site_id	AC6
Number of Residues	3
Details	binding site for residue GOL A 506

Chain	Residue
A	MET182
A	TYR183
A	ASN184

---

site_id	AC7
Number of Residues	5
Details	binding site for residue GOL B 501

Chain	Residue
A	ASN53
B	SER6
B	GLY7
B	GLY8
B	ASP38

---

site_id	AC8
Number of Residues	6
Details	binding site for residue GOL B 502

Chain	Residue
B	GLU110
B	ALA111
B	ILE112
B	ILE113
B	PRO127
B	ILE364

---

site_id	AC9
Number of Residues	4
Details	binding site for residue GOL B 503

Chain	Residue
A	TYR183
B	VAL169
B	HIS170
B	ASN171

---

site_id	AD1
Number of Residues	8
Details	binding site for residue GOL B 504

Chain	Residue
A	GLN411
A	HOH648
B	TYR319
B	GLY322
B	GLN323
B	GLU324
B	THR325
B	PHE395

---

site_id	AD2
Number of Residues	6
Details	binding site for residue GOL B 505

Chain	Residue
A	GLN55
A	HOH686
B	SER9
B	ASP38
B	HIS40
B	HIS67

---

site_id	AD3
Number of Residues	16
Details	binding site for residue AOU B 506

Chain	Residue
A	VAL281
A	GLY284
B	ALA111
B	ARG119
B	LEU120
B	VAL121
B	TRP124
B	ILE130
B	VAL255
B	MET259
B	TRP267
B	SER278
B	MET291
B	HOH612
B	HOH646
B	HOH668

---

site_id	AD4
Number of Residues	26
Details	binding site for residue NDP B 507

Chain	Residue
B	LEU288
B	HIS309
B	GLY310
B	THR311
B	VAL312
B	THR313
B	ARG314
B	HIS315
B	THR327
B	ASN328
B	CIT508
B	HOH613
B	HOH628
B	HOH631
B	HOH638
B	HOH641
B	HOH648
B	HOH652
B	HOH659
B	LYS72
B	ALA74
B	THR75
B	THR77
B	ARG82
B	ASN96
B	GLN283

---

site_id	AD5
Number of Residues	7
Details	binding site for residue CIT B 508

Chain	Residue
B	THR77
B	SER94
B	ASN96
B	ARG100
B	NDP507
B	HOH621
B	HOH641

---

Functional Information from PROSITE/UniProt

site_id	PS00470
Number of Residues	20
Details	IDH_IMDH Isocitrate and isopropylmalate dehydrogenases signature. NYDGDVqSDsvAqgy.GSLGM

Chain	Residue	Details
A	ASN271-MET290

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15173171","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19935646","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1T09","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1T0L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3INM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MAP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MAR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MAS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4I3K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4I3L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KZO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4L03","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4L04","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4L06","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4UMX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4UMY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4XRX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4XS3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DE1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L57","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L58","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5LGE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5SUN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5SVF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5TQH","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	18
Details	Binding site: {"description":"in other chain","evidences":[{"source":"PubMed","id":"15173171","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1T0L","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15173171","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19935646","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1T09","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1T0L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3INM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MAP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MAR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MAS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4I3K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4I3L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KZO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4L03","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4L04","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4L06","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4UMX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4UMY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4XRX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4XS3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DE1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L57","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5LGE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5SUN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5SVF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5TQH","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15173171","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1T0L","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15173171","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"19935646","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1T0L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3INM","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15173171","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19935646","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1T0L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3INM","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Binding site: {"description":"in other chain","evidences":[{"source":"PubMed","id":"15173171","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"19935646","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1T0L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3INM","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	Site: {"description":"Critical for catalysis"}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	2
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	8
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"O88844","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI11
Number of Residues	4
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"O88844","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI12
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI13
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"O88844","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---