Structure of PDB 7x11 Chain B

Receptor sequence

>7x11B (length=564) Species: 9606 (Homo sapiens)

PRRRHTHQRGYLLTRNPHLNKDLAFTLEERQQLNIHGLLPPSFNSQEIQV
LRVVKNFEHLNSDFDRYLLLMDLQDRNEKLFYRVLTSDIEKFMPIVYTPT
VGLACQQYSLVFRKPRGLFITIHDRGHIASVLNAWPEDVIKAIVVTDGER
ILGLGDLGCNGMGIPVGKLALYTACGGMNPQECLPVILDVGTENEELLKD
PLYIGLRQRRVRGSEYDDFLDEFMEAVSSKYGMNCLIQFEDFANVNAFRL
LNKYRNQYCTFNDDIQGTASVAVAGLLAALRITKNKLSDQTILFQGAGEA
ALGIAHLIVMALEKEGLPKEKAIKKIWLVDSKGLIVKGRASLTQEKEKFA
HEHEEMKNLEAIVQEIKPTALIGVAAIGGAFSEQILKDMAAFNERPIIFA
LSNPTSKAECSAEQCYKITKGRAIFASGSPFDPVTLPNGQTLYPGQGNNS
YVFPGVALGVVACGLRQITDNIFLTTAEVIAQQVSDKHLEEGRLYPPLNT
IRDVSLKIAEKIVKDAYQEKTATVYPEPQNKEAFVRSQMYSTDYDQILPD
CYSWPEEVQKIQTK

3D structure

• PDB: 7x11 Discovery and Characterization of a Novel Allosteric Small-Molecule Inhibitor of NADP + -Dependent Malic Enzyme 1.
• Chain: B
• Resolution: 2.07 Å

Enzymatic activity

• Enzyme Commision number: 1.1.1.40: malate dehydrogenase (oxaloacetate-decarboxylating) (NADP(+)).

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	MN	B	E255 D256 D279	E240 D241 D264
BS02	NDP	B	N259 T283 Q310 G311 A312 G313 E314 A315 D345 S346 K361 V389 A391 L416 S417 N418 G462	N244 T268 Q295 G296 A297 G298 E299 A300 D330 S331 K346 V374 A376 L401 S402 N403 G447
BS03	86I	B	N259 F263 L317 G318 H321 E360 D485	N244 F248 L302 G303 H306 E345 D470

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004470 malic enzyme activity
• GO:0004473 malate dehydrogenase (decarboxylating) (NADP+) activity
• GO:0005515 protein binding
• GO:0008948 oxaloacetate decarboxylase activity
• GO:0009055 electron transfer activity
• GO:0016491 oxidoreductase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0030145 manganese ion binding
• GO:0042802 identical protein binding
• GO:0043531 ADP binding
• GO:0046872 metal ion binding
• GO:0050661 NADP binding
• GO:0051287 NAD binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0006090 pyruvate metabolic process
• GO:0006108 malate metabolic process
• GO:0006734 NADH metabolic process
• GO:0006739 NADP metabolic process
• GO:0009165 nucleotide biosynthetic process
• GO:0009725 response to hormone
• GO:0009743 response to carbohydrate
• GO:0051289 protein homotetramerization
• GO:1902031 regulation of NADP metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005739 mitochondrion
• GO:0005829 cytosol

External links

• PDB: RCSB:7x11, PDBe:7x11, PDBj:7x11
• PDBsum: 7x11
• PubMed: 35819845
• UniProt: P48163|MAOX_HUMAN NADP-dependent malic enzyme (Gene Name=ME1)