Structure of PDB 1zlq Chain A Binding Site BS01

Receptor Information
>1zlq Chain A (length=499) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDEITTAWPVNVGPLNPHLYTPNQMFAQSMVYEPLVKYQADGSVIPWLAK
SWTHSEDGKTWTFTLRDDVKFSNGEPFDAEAAAENFRAVLDNRQRHAWLE
LANQIVDVKALSKTELQITLKSAYYPFLQELALPRPFRFIAPSQFKNHET
MNGIKAPIGTGPWILQESKLNQYDVFVRNENYWGEKPAIKKITFNVIPDP
TTRAVAFETGDIDLLYGNEGLLPLDTFARFSQNPAYHTQLSQPIETVMLA
LNTAKAPTNELAVREALNYAVNKKSLIDNALYGTQQVADTLFAPSVPYAN
LGLKPSQYDPQKAKALLEKAGWTLPAGKDIREKNGQPLRIELSFIGTDAL
SKSMAEIIQADMRQIGADVSLIGEEESSIYARQRDGRFGMIFHRTWGAPY
DPHAFLSSMRVPSHADFQAQQGLADKPLIDKEIGEVLATHDETQRQALYR
DILTRLHDEAVYLPISYISMMVVSKPELGNIPYAPIATEIPFEQIKPVK
Ligand information
Ligand IDEDT
InChIInChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyKCXVZYZYPLLWCC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O
CACTVS 3.341OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
OpenEye OEToolkits 1.5.0C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
FormulaC10 H16 N2 O8
Name{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID
ChEMBLCHEMBL858
DrugBankDB00974
ZINCZINC000019364242
PDB chain1zlq Chain A Residue 1513 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1zlq Crystallographic and Spectroscopic Evidence for High Affinity Binding of FeEDTA(H(2)O)(-) to the Periplasmic Nickel Transporter NikA
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y22 M27 R97 W100 R137 W398 Y402 H416
Binding residue
(residue number reindexed from 1)		Y20 M25 R95 W98 R135 W396 Y400 H414
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.3.24: Transferred entry: 7.2.2.11.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016151 nickel cation binding
GO:0020037 heme binding
GO:0046914 transition metal ion binding
GO:0051540 metal cluster binding
GO:1904680 peptide transmembrane transporter activity
Biological Process
GO:0015675 nickel cation transport
GO:0015833 peptide transport
GO:0050919 negative chemotaxis
GO:0055085 transmembrane transport
GO:0098716 nickel cation import across plasma membrane
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1zlq, PDBe:1zlq, PDBj:1zlq
PDBsum1zlq
PubMed16011372
UniProtP33590|NIKA_ECOLI Nickel-binding periplasmic protein (Gene Name=nikA)

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