Structure of PDB 6mgi Chain A Binding Site BS04

Receptor Information
>6mgi Chain A (length=915) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEYDALLVDRFLNILQDLHGPSLREFVQECYEVSADYEGKGDTTKLGELG
AKLTGLAPADAILVASSILHMLNLANLAEEVQIAHRRRNSKLSDIEETLK
RLVSEVGKSPEEVFEALKNQTVDLVFTAHPTQSARRSLLQKNARIRNCLT
QLNAKDITDDDKQELDEALQREIQAAFRTDEIRRAQPTPQDEMRYGMSYI
HETVWKGVPKFLRRVDTALKNIGINERLPYNVSLIRFSSWMGGDRDGNPR
VTPEVTRDVCLLARMMAANLYIDQIEELMFELSMWRCNDELRVRAEELHS
SSGSKVTKYYIEFWKQIPPNEPYRVILGHVRDKLYNTRERARHLLASGVS
EISAESSFTSIEEFLEPLELCYKSLCDCGDKAIADGSLLDLLRQVFTFGL
SLVKLDIRQESERHTDVIDAITTHLGIGSYREWSEDKRQEWLLSELRGKR
PLLPPDLPQTEEIADVIGAFHVLAELPPDSFGPYIISMATAPSDVLAVEL
LQRECGVRQPLPVVPLFERLADLQSAPASVERLFSVDWYMDRIKGKQQVM
VGYSDSGKDAGRLSAAWQLYRAQEEMAQVAKRYGVKLTLFHGRGGTVGRG
GGPTHLAILSQPPDTINGSIRVTVQGEVIEFCFGEEHLCFQTLQRFTAAT
LEHGMHPPVSPKPEWRKLMDEMAVVATEEYRSVVVKEARFVEYFRSATPE
TEYGRMNIGSRPGITTLRAIPWIFSWTQTRFHLPVWLGVGAAFKFAIDKD
VRNFQVLKEMYNEWPFFRVTLDLLEMVFAKGDPGIAGLYDELLVAEELKP
FGKQLRDKYVETQQLLLQIAGHKDILEGDPFLKQGLVLRNPYITTLNVFQ
AYTLKRIRDPNFKVTPQPPLSKEFADENKPAGLVKLNPASEYPPGLEDTL
ILTMKGIAAGMQNTG
Ligand information
Ligand IDG6P
InChIInChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
InChIKeyNBSCHQHZLSJFNQ-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
FormulaC6 H13 O9 P
Name6-O-phosphono-alpha-D-glucopyranose;
ALPHA-D-GLUCOSE-6-PHOSPHATE;
6-O-phosphono-alpha-D-glucose;
6-O-phosphono-D-glucose;
6-O-phosphono-glucose
ChEMBL
DrugBankDB02007
ZINCZINC000003875375
PDB chain6mgi Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6mgi Structural and biochemical evidence of the glucose 6-phosphate-allosteric site of maize C4-phosphoenolpyruvate carboxylase: its importance in the overall enzyme kinetics.
Resolution2.986 Å
Binding residue
(original residue number in PDB)		E360 F361 W362
Binding residue
(residue number reindexed from 1)		E312 F313 W314
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H177 R456 E566 D603 R641 R773
Catalytic site (residue number reindexed from 1) H129 R408 E518 D555 R593 R718
Enzyme Commision number 4.1.1.31: phosphoenolpyruvate carboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008964 phosphoenolpyruvate carboxylase activity
GO:0016829 lyase activity
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0009735 response to cytokinin
GO:0010167 response to nitrate
GO:0015977 carbon fixation
GO:0015979 photosynthesis
GO:0048366 leaf development
GO:0060359 response to ammonium ion
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6mgi, PDBe:6mgi, PDBj:6mgi
PDBsum6mgi
PubMed32459324
UniProtP04711|CAPP1_MAIZE Phosphoenolpyruvate carboxylase 1 (Gene Name=PEP1)

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