BioLiP

Receptor Information

>5ch7 Chain C (length=891) Species: 640081 (Azospira oryzae PS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FEYSGWENFHRTQWSWDKKTRGAHLVNCTGACPHFVYSKDGVVMREEQSK
DIAPMPNIPEYNPRGCNKGECGHDYMYGPHRIKYPLIRVGERGEGKWRRA
TWEEALDMIADKCVDTIKNHAPDCISVYSPVPAVSPVSFSAGHRFAHYIG
AHAHTFYDWYGDHPTGQTQTCGVQGDTCETADWFNSKYIILWGSNPTQTR
IPDAHFLSEAQLNGAKIVSISPDYNSSTIKVDKWIHPQPGTDGALAMAMA
HVIIKEKLYDAHSLKEQTDLSYLVRSDTKRFLREADVVAGGSKDKFYFWN
AKTGKPVIPKGSWGDQPEKKGSPVGFLGRNTFAFPKGYIDLGDLDPALEG
KFNMQLLDGKTVEVRPVFEILKSRLMADNTPEKAAKITGVTAKAITELAR
EFATAKPSMIICGGGTQHWYYSDVLLRAMHLLTALTGTEGTNGGGMNHYI
GQWKPAFVAGLVALAFPEGVNKQRFCQTTIWTYIHAEVNDEIISSDIDTE
KYLRDSITTGQMPNMPEQGRDPKVFFVYRGNWLNQAKGQKYVLENLWPKL
ELIVDINIRMDSTALYSDVVLPSAHWYEKLDLNVTSEHSYINMTEPAIKP
MWESKTDWQIFLALAKRVEMAAKRKKYEKFNDEKFKWVRDLSNLWNQMTM
DGKLAEDEAAAQYILDNAPQSKGITIQMLREKPQRFKSNWTSPLKEGVPY
TPFQYFVVDKKPWPTLTGRQQFYLDHDTFFDMGVELPTYKAPIDADKYPF
RFNSPHSRHSVHSTFKDNVLMLRLQRGGPSIEMSPLDAKPLGIKDNDWVE
AWNNHGKVICRVKIRNGEQRGRVSMWHCPELYMDLLTGGSQSVCPVRINP
TNLVGNYGHLFFRPNYYGPAGSQRDVRVNVKRYIGATPISF

Ligand ID

MD1

InChI

InChI=1S/C20H26N10O13P2S2/c21-19-26-14-8(16(34)28-19)25-5(1-23-14)12(46)13(47)6(31)2-40-44(36,37)43-45(38,39)41-3-7-10(32)11(33)18(42-7)30-4-24-9-15(30)27-20(22)29-17(9)35/h1,4-7,10-11,18,25,31-33,46-47H,2-3H2,(H,36,37)(H,38,39)(H3,21,26,28,34)(H3,22,27,29,35)/b13-12-/t5-,6-,7-,10-,11-,18-/m1/s1

InChIKey

IRGDLSAXQOKWLX-XHEYTWMPSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.5	c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C(\[C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N
ACDLabs 10.04	O=C2NC(=NC=1N=CC(NC=12)C(/S)=C(/S)C(O)COP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c4N=C(N)NC3=O)C(O)C5O)N
CACTVS 3.385	NC1=NC2=C(N[CH](C=N2)C(S)=C(S)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)NC(=Nc45)N)C(=O)N1
CACTVS 3.385	NC1=NC2=C(N[C@H](C=N2)C(\S)=C(S)/[C@H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5C(=O)NC(=Nc45)N)C(=O)N1
OpenEye OEToolkits 1.7.5	c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC(C(=C(C4C=NC5=C(N4)C(=O)NC(=N5)N)S)S)O)O)O)N=C(NC2=O)N

Formula

C20 H26 N10 O13 P2 S2

Name

PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER

PDB chain

5ch7 Chain C Residue 1004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	5ch7 Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	Y168 D170 H426 Y536 R537 G538 N539 Q543 I564 N565 I566 R567 D569 S581 W584 D615 S762 H764 H770 S771 T772 H835 Q849 Q881
Binding residue (residue number reindexed from 1)	Y160 D162 H418 Y528 R529 G530 N531 Q535 I556 N557 I558 R559 D561 S573 W576 D607 S754 H756 H762 S763 T764 H827 Q841 Q873
Annotation score	1

Catalytic site (original residue number in PDB)	K76 P138 P140 W167 Y168 D170 P172 Y457 Q460
Catalytic site (residue number reindexed from 1)	K68 P130 P132 W159 Y160 D162 P164 Y449 Q452
Enzyme Commision number	?

	Molecular Function
GO:0016491	oxidoreductase activity
GO:0043546	molybdopterin cofactor binding
GO:0046872	metal ion binding
GO:0051539	4 iron, 4 sulfur cluster binding

	Biological Process
GO:0009061	anaerobic respiration
GO:0045333	cellular respiration

	Cellular Component
GO:0016020	membrane
GO:1990204	oxidoreductase complex

PDB	RCSB:5ch7, PDBe:5ch7, PDBj:5ch7
PDBsum	5ch7
PubMed	26940877
UniProt	G8QM55

[Back to BioLiP]

Structure of PDB 5ch7 Chain C Binding Site BS04