8HB9

Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053

This is a non-PDB format compatible entry.

Functional Information from GO Data

Chain	GOid	namespace	contents
AAA	0000287	molecular_function	magnesium ion binding
AAA	0004450	molecular_function	isocitrate dehydrogenase (NADP+) activity
AAA	0005515	molecular_function	protein binding
AAA	0005576	cellular_component	extracellular region
AAA	0005737	cellular_component	cytoplasm
AAA	0005739	cellular_component	mitochondrion
AAA	0005777	cellular_component	peroxisome
AAA	0005782	cellular_component	peroxisomal matrix
AAA	0005829	cellular_component	cytosol
AAA	0006097	biological_process	glyoxylate cycle
AAA	0006099	biological_process	tricarboxylic acid cycle
AAA	0006102	biological_process	isocitrate metabolic process
AAA	0006103	biological_process	2-oxoglutarate metabolic process
AAA	0006739	biological_process	NADP metabolic process
AAA	0006749	biological_process	glutathione metabolic process
AAA	0006979	biological_process	response to oxidative stress
AAA	0008585	biological_process	female gonad development
AAA	0014070	biological_process	response to organic cyclic compound
AAA	0016491	molecular_function	oxidoreductase activity
AAA	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
AAA	0034774	cellular_component	secretory granule lumen
AAA	0042802	molecular_function	identical protein binding
AAA	0042803	molecular_function	protein homodimerization activity
AAA	0045296	molecular_function	cadherin binding
AAA	0046872	molecular_function	metal ion binding
AAA	0048545	biological_process	response to steroid hormone
AAA	0050661	molecular_function	NADP binding
AAA	0051287	molecular_function	NAD binding
AAA	0060696	biological_process	regulation of phospholipid catabolic process
AAA	0070062	cellular_component	extracellular exosome
AAA	0071071	biological_process	regulation of phospholipid biosynthetic process
AAA	1904724	cellular_component	tertiary granule lumen
AAA	1904813	cellular_component	ficolin-1-rich granule lumen
BBB	0000287	molecular_function	magnesium ion binding
BBB	0004450	molecular_function	isocitrate dehydrogenase (NADP+) activity
BBB	0005515	molecular_function	protein binding
BBB	0005576	cellular_component	extracellular region
BBB	0005737	cellular_component	cytoplasm
BBB	0005739	cellular_component	mitochondrion
BBB	0005777	cellular_component	peroxisome
BBB	0005782	cellular_component	peroxisomal matrix
BBB	0005829	cellular_component	cytosol
BBB	0006097	biological_process	glyoxylate cycle
BBB	0006099	biological_process	tricarboxylic acid cycle
BBB	0006102	biological_process	isocitrate metabolic process
BBB	0006103	biological_process	2-oxoglutarate metabolic process
BBB	0006739	biological_process	NADP metabolic process
BBB	0006749	biological_process	glutathione metabolic process
BBB	0006979	biological_process	response to oxidative stress
BBB	0008585	biological_process	female gonad development
BBB	0014070	biological_process	response to organic cyclic compound
BBB	0016491	molecular_function	oxidoreductase activity
BBB	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
BBB	0034774	cellular_component	secretory granule lumen
BBB	0042802	molecular_function	identical protein binding
BBB	0042803	molecular_function	protein homodimerization activity
BBB	0045296	molecular_function	cadherin binding
BBB	0046872	molecular_function	metal ion binding
BBB	0048545	biological_process	response to steroid hormone
BBB	0050661	molecular_function	NADP binding
BBB	0051287	molecular_function	NAD binding
BBB	0060696	biological_process	regulation of phospholipid catabolic process
BBB	0070062	cellular_component	extracellular exosome
BBB	0071071	biological_process	regulation of phospholipid biosynthetic process
BBB	1904724	cellular_component	tertiary granule lumen
BBB	1904813	cellular_component	ficolin-1-rich granule lumen
CCC	0000287	molecular_function	magnesium ion binding
CCC	0004450	molecular_function	isocitrate dehydrogenase (NADP+) activity
CCC	0005515	molecular_function	protein binding
CCC	0005576	cellular_component	extracellular region
CCC	0005737	cellular_component	cytoplasm
CCC	0005739	cellular_component	mitochondrion
CCC	0005777	cellular_component	peroxisome
CCC	0005782	cellular_component	peroxisomal matrix
CCC	0005829	cellular_component	cytosol
CCC	0006097	biological_process	glyoxylate cycle
CCC	0006099	biological_process	tricarboxylic acid cycle
CCC	0006102	biological_process	isocitrate metabolic process
CCC	0006103	biological_process	2-oxoglutarate metabolic process
CCC	0006739	biological_process	NADP metabolic process
CCC	0006749	biological_process	glutathione metabolic process
CCC	0006979	biological_process	response to oxidative stress
CCC	0008585	biological_process	female gonad development
CCC	0014070	biological_process	response to organic cyclic compound
CCC	0016491	molecular_function	oxidoreductase activity
CCC	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
CCC	0034774	cellular_component	secretory granule lumen
CCC	0042802	molecular_function	identical protein binding
CCC	0042803	molecular_function	protein homodimerization activity
CCC	0045296	molecular_function	cadherin binding
CCC	0046872	molecular_function	metal ion binding
CCC	0048545	biological_process	response to steroid hormone
CCC	0050661	molecular_function	NADP binding
CCC	0051287	molecular_function	NAD binding
CCC	0060696	biological_process	regulation of phospholipid catabolic process
CCC	0070062	cellular_component	extracellular exosome
CCC	0071071	biological_process	regulation of phospholipid biosynthetic process
CCC	1904724	cellular_component	tertiary granule lumen
CCC	1904813	cellular_component	ficolin-1-rich granule lumen
DDD	0000287	molecular_function	magnesium ion binding
DDD	0004450	molecular_function	isocitrate dehydrogenase (NADP+) activity
DDD	0005515	molecular_function	protein binding
DDD	0005576	cellular_component	extracellular region
DDD	0005737	cellular_component	cytoplasm
DDD	0005739	cellular_component	mitochondrion
DDD	0005777	cellular_component	peroxisome
DDD	0005782	cellular_component	peroxisomal matrix
DDD	0005829	cellular_component	cytosol
DDD	0006097	biological_process	glyoxylate cycle
DDD	0006099	biological_process	tricarboxylic acid cycle
DDD	0006102	biological_process	isocitrate metabolic process
DDD	0006103	biological_process	2-oxoglutarate metabolic process
DDD	0006739	biological_process	NADP metabolic process
DDD	0006749	biological_process	glutathione metabolic process
DDD	0006979	biological_process	response to oxidative stress
DDD	0008585	biological_process	female gonad development
DDD	0014070	biological_process	response to organic cyclic compound
DDD	0016491	molecular_function	oxidoreductase activity
DDD	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
DDD	0034774	cellular_component	secretory granule lumen
DDD	0042802	molecular_function	identical protein binding
DDD	0042803	molecular_function	protein homodimerization activity
DDD	0045296	molecular_function	cadherin binding
DDD	0046872	molecular_function	metal ion binding
DDD	0048545	biological_process	response to steroid hormone
DDD	0050661	molecular_function	NADP binding
DDD	0051287	molecular_function	NAD binding
DDD	0060696	biological_process	regulation of phospholipid catabolic process
DDD	0070062	cellular_component	extracellular exosome
DDD	0071071	biological_process	regulation of phospholipid biosynthetic process
DDD	1904724	cellular_component	tertiary granule lumen
DDD	1904813	cellular_component	ficolin-1-rich granule lumen

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
AAA	ASN271-MET290

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269|PubMed:15173171, ECO:0000269|PubMed:19935646, ECO:0007744|PDB:1T09, ECO:0007744|PDB:1T0L, ECO:0007744|PDB:3INM, ECO:0007744|PDB:3MAP, ECO:0007744|PDB:3MAR, ECO:0007744|PDB:3MAS, ECO:0007744|PDB:4I3K, ECO:0007744|PDB:4I3L, ECO:0007744|PDB:4KZO, ECO:0007744|PDB:4L03, ECO:0007744|PDB:4L04, ECO:0007744|PDB:4L06, ECO:0007744|PDB:4UMX, ECO:0007744|PDB:4UMY, ECO:0007744|PDB:4XRX, ECO:0007744|PDB:4XS3, ECO:0007744|PDB:5DE1, ECO:0007744|PDB:5L57, ECO:0007744|PDB:5L58, ECO:0007744|PDB:5LGE, ECO:0007744|PDB:5SUN, ECO:0007744|PDB:5SVF, ECO:0007744|PDB:5TQH

Chain	Residue	Details
AAA	THR75
DDD	THR75
DDD	GLY310
DDD	ASN328
AAA	GLY310
AAA	ASN328
BBB	THR75
BBB	GLY310
BBB	ASN328
CCC	THR75
CCC	GLY310
CCC	ASN328

---

site_id	SWS_FT_FI2
Number of Residues	16
Details	BINDING: in other chain => ECO:0000269|PubMed:15173171, ECO:0007744|PDB:1T0L

Chain	Residue	Details
AAA	THR77
CCC	SER94
CCC	ARG109
CCC	HIS132
DDD	THR77
DDD	SER94
DDD	ARG109
DDD	HIS132
AAA	SER94
AAA	ARG109
AAA	HIS132
BBB	THR77
BBB	SER94
BBB	ARG109
BBB	HIS132
CCC	THR77

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:15173171, ECO:0000269|PubMed:19935646, ECO:0007744|PDB:1T09, ECO:0007744|PDB:1T0L, ECO:0007744|PDB:3INM, ECO:0007744|PDB:3MAP, ECO:0007744|PDB:3MAR, ECO:0007744|PDB:3MAS, ECO:0007744|PDB:4I3K, ECO:0007744|PDB:4I3L, ECO:0007744|PDB:4KZO, ECO:0007744|PDB:4L03, ECO:0007744|PDB:4L04, ECO:0007744|PDB:4L06, ECO:0007744|PDB:4UMX, ECO:0007744|PDB:4UMY, ECO:0007744|PDB:4XRX, ECO:0007744|PDB:4XS3, ECO:0007744|PDB:5DE1, ECO:0007744|PDB:5L57, ECO:0007744|PDB:5LGE, ECO:0007744|PDB:5SUN, ECO:0007744|PDB:5SVF, ECO:0007744|PDB:5TQH

Chain	Residue	Details
AAA	ARG82
BBB	ARG82
CCC	ARG82
DDD	ARG82

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:15173171, ECO:0007744|PDB:1T0L

Chain	Residue	Details
AAA	LYS212
BBB	LYS212
CCC	LYS212
DDD	LYS212

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	BINDING: BINDING => ECO:0000305|PubMed:15173171, ECO:0000305|PubMed:19935646, ECO:0007744|PDB:1T0L, ECO:0007744|PDB:3INM

Chain	Residue	Details
AAA	ASP252
BBB	ASP252
CCC	ASP252
DDD	ASP252

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:15173171, ECO:0000269|PubMed:19935646, ECO:0007744|PDB:1T0L, ECO:0007744|PDB:3INM

Chain	Residue	Details
AAA	LYS260
BBB	LYS260
CCC	LYS260
DDD	LYS260

---

site_id	SWS_FT_FI7
Number of Residues	8
Details	BINDING: in other chain => ECO:0000305|PubMed:15173171, ECO:0000305|PubMed:19935646, ECO:0007744|PDB:1T0L, ECO:0007744|PDB:3INM

Chain	Residue	Details
AAA	ASP275
AAA	ASP279
BBB	ASP275
BBB	ASP279
CCC	ASP275
CCC	ASP279
DDD	ASP275
DDD	ASP279

---

site_id	SWS_FT_FI8
Number of Residues	8
Details	SITE: Critical for catalysis

Chain	Residue	Details
AAA	TYR139
AAA	LYS212
BBB	TYR139
BBB	LYS212
CCC	TYR139
CCC	LYS212
DDD	TYR139
DDD	LYS212

---

site_id	SWS_FT_FI9
Number of Residues	4
Details	MOD_RES: N-acetylserine => ECO:0007744|PubMed:22814378

Chain	Residue	Details
AAA	SER2
BBB	SER2
CCC	SER2
DDD	SER2

---

site_id	SWS_FT_FI10
Number of Residues	4
Details	MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:24275569

Chain	Residue	Details
AAA	TYR42
BBB	TYR42
CCC	TYR42
DDD	TYR42

---

site_id	SWS_FT_FI11
Number of Residues	16
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:O88844

Chain	Residue	Details
AAA	LYS81
CCC	LYS224
CCC	LYS233
CCC	LYS243
DDD	LYS81
DDD	LYS224
DDD	LYS233
DDD	LYS243
AAA	LYS224
AAA	LYS233
AAA	LYS243
BBB	LYS81
BBB	LYS224
BBB	LYS233
BBB	LYS243
CCC	LYS81

---

site_id	SWS_FT_FI12
Number of Residues	8
Details	MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:O88844

Chain	Residue	Details
AAA	LYS126
AAA	LYS400
BBB	LYS126
BBB	LYS400
CCC	LYS126
CCC	LYS400
DDD	LYS126
DDD	LYS400

---

site_id	SWS_FT_FI13
Number of Residues	4
Details	MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861

Chain	Residue	Details
AAA	LYS321
BBB	LYS321
CCC	LYS321
DDD	LYS321

---

site_id	SWS_FT_FI14
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:O88844

Chain	Residue	Details
AAA	SER389
BBB	SER389
CCC	SER389
DDD	SER389

---