Structure of PDB 5fh3 Chain A Binding Site BS03
Receptor Information
>5fh3 Chain A (length=611) Species:
10116
(Rattus norvegicus) [
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LHNGLDFSAKVIQGSLDSLPQEVRKFVEGNAQLCQPEYIHICDGSEEEYG
RLLAHMQEEGVIRKLKKYDNCWLALTDPRDVARIASKTVIITQEQRDTVP
IPKSGQSQLGRWMSEEDFEKAFNARFPGCMKGRTMYVIPFSMGPLGSPLA
KIGIELTDSPYVVASMRIMTRMGTSVLEALGDGEFIKCLHSVGCPLPLKK
PLVNNWACNPELTLIAHLPDRREIISFGSGYGGNSLLGKKCFALRIASRL
AKEEGWLAEHMLILGITNPEGKKKYLAAAFPSACGKTNLAMMNPTLPGWK
VECVGDDIAWMKFDAQGNLRAINPENGFFGVAPGTSVKTNPNAIKTIQKN
TIFTNVAETSDGGVYWEGIDEPLAPGVTITSWKNKEWRPQDEEPCAHPNS
RFCTPASQCPIIDPAWESPEGVPIEGIIFGGRRPAGVPLVYEALSWQHGV
FVGAAMRSEATKVIMHDPFAMRPFFGYNFGKYLAHWLSMAHRPAAKLPKI
FHVNWFRKDKNGKFLWPGFGENSRVLEWMFGRIEGEDSAKLTPIGYVPKE
DALNLKGLGDVNVEELFGISKEFWEKEVEEIDKYLEDQVNADLPYEIERE
LRALKQRISQM
Ligand information
Ligand ID
GTP
InChI
InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey
XKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
Formula
C10 H16 N5 O14 P3
Name
GUANOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL1233147
DrugBank
DB04137
ZINC
ZINC000060094177
PDB chain
5fh3 Chain A Residue 704 [
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Receptor-Ligand Complex Structure
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PDB
5fh3
Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Resolution
1.6 Å
Binding residue
(original residue number in PDB)
S286 A287 G289 K290 T291 N292 V335 R405 W516 F517 F530
Binding residue
(residue number reindexed from 1)
S282 A283 G285 K286 T287 N288 V331 R401 W505 F506 F519
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
R87 Y235 K244 H264 S286 C288 D311 R405
Catalytic site (residue number reindexed from 1)
R83 Y231 K240 H260 S282 C284 D307 R401
Enzyme Commision number
2.7.11.-
4.1.1.32
: phosphoenolpyruvate carboxykinase (GTP).
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0004550
nucleoside diphosphate kinase activity
GO:0004611
phosphoenolpyruvate carboxykinase activity
GO:0004613
phosphoenolpyruvate carboxykinase (GTP) activity
GO:0005525
GTP binding
GO:0016301
kinase activity
GO:0016831
carboxy-lyase activity
GO:0017076
purine nucleotide binding
GO:0019003
GDP binding
GO:0030145
manganese ion binding
GO:0031406
carboxylic acid binding
GO:0046872
metal ion binding
GO:0106264
protein serine kinase activity (using GTP as donor)
Biological Process
GO:0006006
glucose metabolic process
GO:0006094
gluconeogenesis
GO:0006107
oxaloacetate metabolic process
GO:0006629
lipid metabolic process
GO:0009617
response to bacterium
GO:0014823
response to activity
GO:0016310
phosphorylation
GO:0018105
peptidyl-serine phosphorylation
GO:0019543
propionate catabolic process
GO:0031667
response to nutrient levels
GO:0032496
response to lipopolysaccharide
GO:0032868
response to insulin
GO:0032869
cellular response to insulin stimulus
GO:0033993
response to lipid
GO:0042593
glucose homeostasis
GO:0042594
response to starvation
GO:0043382
positive regulation of memory T cell differentiation
GO:0043648
dicarboxylic acid metabolic process
GO:0045944
positive regulation of transcription by RNA polymerase II
GO:0046166
glyceraldehyde-3-phosphate biosynthetic process
GO:0046327
glycerol biosynthetic process from pyruvate
GO:0046889
positive regulation of lipid biosynthetic process
GO:0046890
regulation of lipid biosynthetic process
GO:0051365
cellular response to potassium ion starvation
GO:0070365
hepatocyte differentiation
GO:0070741
response to interleukin-6
GO:0071300
cellular response to retinoic acid
GO:0071320
cellular response to cAMP
GO:0071332
cellular response to fructose stimulus
GO:0071333
cellular response to glucose stimulus
GO:0071347
cellular response to interleukin-1
GO:0071356
cellular response to tumor necrosis factor
GO:0071377
cellular response to glucagon stimulus
GO:0071456
cellular response to hypoxia
GO:0071474
cellular hyperosmotic response
GO:0071475
cellular hyperosmotic salinity response
GO:0071476
cellular hypotonic response
GO:0071477
cellular hypotonic salinity response
GO:0071549
cellular response to dexamethasone stimulus
GO:0072350
tricarboxylic acid metabolic process
GO:0097403
cellular response to raffinose
GO:1904628
cellular response to phorbol 13-acetate 12-myristate
GO:1904640
response to methionine
Cellular Component
GO:0005737
cytoplasm
GO:0005783
endoplasmic reticulum
GO:0005829
cytosol
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:5fh3
,
PDBe:5fh3
,
PDBj:5fh3
PDBsum
5fh3
PubMed
26709450
UniProt
P07379
|PCKGC_RAT Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Gene Name=Pck1)
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