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Receptor Information

>4p0g Chain A (length=429) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

APTALERVQKEGVLRVITRNSPATYFQDRNGETGFEYELAKRFAERLGVE
LKIETADNLDDLYAQLSREGGPALAAAGLTPGREDDASVRYSHTYLDVTP
QIIYRNGQQRPTRPEDLVGKRIMVLKGSSHAEQLAELKKQYPELKYEESD
AVEVVDLLRMVDVGDIDLTLVDSNELAMNQVYFPNVRVAFDFGEARGLAW
ALPGGDDDSLMNEVNAFLDQAKKEGLLQRLKDRYYGHVDVLGYVGAYTFA
QHLQQRLPRYESHFKQSGKQLDTDWRLLAAIGYQESLWQPGATSKTGVRG
LMMLTNRTAQAMGVSNRLDPKQSIQGGSKYFVQIRSELPESIKEPDRSWF
ALAAYNIGGAHLEDARKMAEKEGLNPNKWLDVKKMLPRLAQKQWYAKTRY
GYARGGETVHFVQNVRRYYDILTWVTQPQ

Ligand ID

BLG

InChI

InChI=1S/C16H29N3O14S2/c1-7(22)18-12-13(23)14(33-35(28,29)30)11(6-21)32-16(12)31-10-4-8(19-9(10)5-20)15(24)17-2-3-34(25,26)27/h8-14,16,19-21,23H,2-6H2,1H3,(H,17,24)(H,18,22)(H,25,26,27)(H,28,29,30)/p+1/t8-,9+,10-,11+,12+,13+,14+,16+/m0/s1

InChIKey

RPNZWZDLNYCCIG-HMMVDTEZSA-O

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)NC1C(C(C(OC1OC2CC([NH2+]C2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O
CACTVS 3.341	CC(=O)N[CH]1[CH](O)[CH](O[S](O)(=O)=O)[CH](CO)O[CH]1O[CH]2C[CH]([NH2+][CH]2CO)C(=O)NCC[S](O)(=O)=O
CACTVS 3.341	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[S](O)(=O)=O)[C@@H](CO)O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCC[S](O)(=O)=O
OpenEye OEToolkits 1.5.0	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O
ACDLabs 10.04	O=S(=O)(O)CCNC(=O)C2CC(OC1OC(C(OS(=O)(=O)O)C(O)C1NC(=O)C)CO)C(CO)[NH2+]2

Formula

C16 H30 N3 O14 S2

Name

4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE;
BULGECIN A

PDB chain

4p0g Chain A Residue 501 [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	4p0g Crystal structure of MltF from Pseudomonas aeruginosa complexed with bulgecin and muropeptide
Resolution	1.65 Å
Binding residue (original residue number in PDB)	E316 K326 T327 M334 L335 T336 T339 Y361 Y386 N387 I388 G389 R435 E438
Binding residue (residue number reindexed from 1)	E285 K295 T296 M303 L304 T305 T308 Y330 Y355 N356 I357 G358 R404 E407
Annotation score	1

Enzyme Commision number

4.2.2.n1: peptidoglycan lytic exotransglycosylase.

	Molecular Function
GO:0008933	lytic transglycosylase activity
GO:0016837	carbon-oxygen lyase activity, acting on polysaccharides

	Biological Process
GO:0000270	peptidoglycan metabolic process

	Cellular Component
GO:0016020	membrane

PDB	RCSB:4p0g, PDBe:4p0g, PDBj:4p0g
PDBsum	4p0g
PubMed
UniProt	Q9HXN1\|MLTF_PSEAE Membrane-bound lytic murein transglycosylase F (Gene Name=mltF)

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Structure of PDB 4p0g Chain A Binding Site BS01