Structure of PDB 1tez Chain C Binding Site BS04

Receptor Information

>1tez Chain C (length=474) Species: 269084 (Synechococcus elongatus PCC 6301) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AAPILFWHRRDLRLSDNIGLAAARAQSAQLIGLFCLDPQILQSADMAPAR
VAYLQGCLQELQQRYQQAGSRLLLLQGDPQHLIPQLAQQLQAEAVYWNQD
IEPYGRDRDGQVAAALKTAGIRAVQLWDQLLHSPDQILSGSGNPYSVYGP
FWKNWQAQPKPTPVATPTELVDLSPEQLTAIAPLLLSELPTLKQLGFDWD
GGFPVEPGETAAIARLQEFCDRAIADYDPQRNFPAEAGTSGLSPALKFGA
IGIRQAWQAASAAHALSRSDEARNSIRVWQQELAWREFYQHALYHFPSLA
DGPYRSLWQQFPWENREALFTAWTQAQTGYPIVDAAMRQLTETGWMHNRC
RMIVASFLTKDLIIDWRRGEQFFMQHLVDGDLAANNGGWQWSASSGMDPK
PLRIFNPASQAKKFDATATYIKRWLPELRHVHPKDLISGEITPIERRGYP
APIVNHNLRQKQFKALYNQLKAAI

Ligand information

Ligand ID

HDF

InChI

InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13+/m1/s1

InChIKey

AUEILLWDYUBWCM-AGIUHOORSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@H]([C@@H]([C@H](CO)O)O)O
ACDLabs 10.04	O=C1C=3C(=NC(=O)N1)N(c2c(ccc(O)c2)C=3)CC(O)C(O)C(O)CO
CACTVS 3.341	OC[CH](O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13
OpenEye OEToolkits 1.5.0	c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)CC(C(C(CO)O)O)O
CACTVS 3.341	OC[C@H](O)[C@@H](O)[C@H](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13

Formula

C16 H17 N3 O7

Name

8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-5-DEAZAISOALLOXAZINE

PDB chain

1tez Chain C Residue 7486 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1tez Crystal structure of a photolyase bound to a CPD-like DNA lesion after in situ repair
Resolution	1.8 Å
Binding residue (original residue number in PDB)	R10 F35 C36 L37 D38 I41 L42 M47 R51 L55 D101 E103 G106 R109 K248 F249
Binding residue (residue number reindexed from 1)	R9 F34 C35 L36 D37 I40 L41 M46 R50 L54 D100 E102 G105 R108 K247 F248
Annotation score	1

Enzymatic activity

Enzyme Commision number

4.1.99.3: deoxyribodipyrimidine photo-lyase.

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0003677	DNA binding
GO:0003904	deoxyribodipyrimidine photo-lyase activity
GO:0016829	lyase activity
GO:0071949	FAD binding
GO:0097159	organic cyclic compound binding

	Biological Process
GO:0006139	nucleobase-containing compound metabolic process
GO:0006281	DNA repair
GO:0006950	response to stress
GO:0009416	response to light stimulus

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Molecular Function

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Biological Process

External links

PDB	RCSB:1tez, PDBe:1tez, PDBj:1tez
PDBsum	1tez
PubMed	15576622
UniProt	P05327\|PHR_SYNP6 Deoxyribodipyrimidine photo-lyase (Gene Name=phr)

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