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Receptor Information

>7mqk Chain D (length=261) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IPHTHAHLVDAFQALGIRAGQALMLHASVKAVGAVMGGPNVILQALMDAL
TPDGTLMMYAGWQDIPDFIDSLPDALKAVYLEQHPPFDPATARAVRENSV
LAEFLRTWPCVHRSANPEASMVAVGRQAALLTANHALDYGYGVESPLAKL
VAIEGYVLMLGAPLDTITLLHHAEYLAKMRHKNVVRYPCPILRDGRKVWV
TVEDYDTGDPHDDYSFEQIARDYVAQGGGTRGKVGDADAYLFAAQDLTRF
AVQWLESRFGD

Ligand ID

SIS

InChI

InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1

InChIKey

URWAJWIAIPFPJE-YFMIWBNJSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O
OpenEye OEToolkits 1.7.6	CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O
CACTVS 3.370	CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(=CC[C@H]3N)CN)[C@@H]2O
ACDLabs 12.01	O(C2C(O)C(OC1OC(=CCC1N)CN)C(N)CC2N)C3OCC(O)(C(NC)C3O)C
CACTVS 3.370	CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3OC(=CC[CH]3N)CN)[CH]2O

Formula

C19 H37 N5 O7

Name

(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside;
Sisomicin

PDB chain

7mqk Chain D Residue 301 [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	7mqk Structural elucidation of substrate-bound aminoglycoside acetyltransferase (3)-IIIa.
Resolution	1.6 Å
Binding residue (original residue number in PDB)	Y64 D72 E123 Y146 D170 H176 T212 G213
Binding residue (residue number reindexed from 1)	Y59 D67 E118 Y141 D165 H171 T207 G208
Annotation score	1

Enzyme Commision number

2.3.1.81: aminoglycoside N(3)-acetyltransferase.

	Molecular Function
GO:0008080	N-acetyltransferase activity
GO:0016746	acyltransferase activity
GO:0042802	identical protein binding
GO:0042803	protein homodimerization activity
GO:0046353	aminoglycoside 3-N-acetyltransferase activity
GO:0120225	coenzyme A binding

	Biological Process
GO:0016999	antibiotic metabolic process
GO:0046356	acetyl-CoA catabolic process
GO:0046677	response to antibiotic
GO:0071236	cellular response to antibiotic
GO:1901742	2-deoxystreptamine metabolic process

PDB	RCSB:7mqk, PDBe:7mqk, PDBj:7mqk
PDBsum	7mqk
PubMed	35921328
UniProt	P29808\|AACC3_PSEAI Aminoglycoside N(3)-acetyltransferase III (Gene Name=aacC3)

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Structure of PDB 7mqk Chain D Binding Site BS01