Structure of PDB 6i4y Chain A Binding Site BS02

Receptor Information

>6i4y Chain A (length=429) Species: 9606,83333

KIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQV
AATGDGPDIIFWAHDRFGGYAQSGLLAEITPAAAFQDKLYPFTWDAVRYN
GKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFN
LQEPYFTWPLIAADGGYAFKYAAGKYDIKDVGVDNAGAKAGLTFLVDLIK
NKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSAVNYGVTVLPTF
KGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLG
AVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINA
ASGRQTVDAALAAAQTNAAANSVGEACTDMKREYDQCFNRWFAEKFLKGD
SSGDPCTDLFKRYQQCVQKAIKEKEIPIE

Ligand information

• Ligand ID: GLC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 6i4y Chain C Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6i4y Structural determinants of lipid specificity within Ups/PRELI lipid transfer proteins.
• Resolution: 2.91 Å
• Binding residue (original residue number in PDB): D14 K15 E111 E153 Y155 W230
• Binding residue (residue number reindexed from 1): D14 K15 E111 E153 Y155 W230
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0002039 p53 binding
• GO:0005515 protein binding
• GO:0015144 carbohydrate transmembrane transporter activity
• GO:1901982 maltose binding
• GO:1990050 phosphatidic acid transfer activity

Biological Process

• GO:0006869 lipid transport
• GO:0006915 apoptotic process
• GO:0006974 DNA damage response
• GO:0006977 DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrest
• GO:0008643 carbohydrate transport
• GO:0015768 maltose transport
• GO:0015914 phospholipid transport
• GO:0030330 DNA damage response, signal transduction by p53 class mediator
• GO:0034219 carbohydrate transmembrane transport
• GO:0034289 detection of maltose stimulus
• GO:0034644 cellular response to UV
• GO:0042956 maltodextrin transmembrane transport
• GO:0043066 negative regulation of apoptotic process
• GO:0043154 negative regulation of cysteine-type endopeptidase activity involved in apoptotic process
• GO:0045332 phospholipid translocation
• GO:0045944 positive regulation of transcription by RNA polymerase II
• GO:0055085 transmembrane transport
• GO:0060326 cell chemotaxis
• GO:0090201 negative regulation of release of cytochrome c from mitochondria
• GO:0097035 regulation of membrane lipid distribution
• GO:0120009 intermembrane lipid transfer
• GO:1902166 negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator
• GO:2001140 positive regulation of phospholipid transport

Cellular Component

• GO:0005634 nucleus
• GO:0005654 nucleoplasm
• GO:0005739 mitochondrion
• GO:0005758 mitochondrial intermembrane space
• GO:0016020 membrane
• GO:0030288 outer membrane-bounded periplasmic space
• GO:0032991 protein-containing complex
• GO:0042597 periplasmic space
• GO:0043190 ATP-binding cassette (ABC) transporter complex
• GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing
• GO:1990060 maltose transport complex

External links

• PDB: RCSB:6i4y, PDBe:6i4y, PDBj:6i4y
• PDBsum: 6i4y
• PubMed: 30850607
• UniProt: O43715;
  P0AEX9|MALE_ECOLI Maltose/maltodextrin-binding periplasmic protein (Gene Name=malE)