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3GKR

Crystal Structure of Weissella viridescens FemX:UDP-MurNAc-hexapeptide complex

Functional Information from GO Data
ChainGOidnamespacecontents
A0008360biological_processregulation of cell shape
A0009252biological_processpeptidoglycan biosynthetic process
A0016746molecular_functionacyltransferase activity
A0016755molecular_functionaminoacyltransferase activity
A0044038biological_processcell wall macromolecule biosynthetic process
A0047206molecular_functionUDP-N-acetylmuramoylpentapeptide-lysine N6-alanyltransferase activity
A0071555biological_processcell wall organization
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 401
ChainResidue
ATHR64
ATHR66
AHOH554
AHOH607
AHOH803

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 402
ChainResidue
AHOH781
AHOH850
ALEU280
AASN283
AHOH587
AHOH665

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 403
ChainResidue
ALEU150
APHE308
AVAL309
ALYS310
AHOH662
AHOH829

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 404
ChainResidue
AILE54
AMET79
AASP80
ALEU86
AILE213
AGLU214
AHOH509
AHOH533
AHOH563

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ALA B 101
ChainResidue
BUMA1
BLYS3
BHOH214

site_idAC6
Number of Residues39
DetailsBINDING SITE FOR CHAIN B OF UDP-MURNAC-PENTAPEPTIDE
ChainResidue
ATRP32
ALYS36
AASN38
ATRP39
APHE70
AASP85
ATYR103
AARG106
AILE142
AILE208
ATHR209
AARG211
APRO212
ATYR215
ATYR256
AHOH535
AHOH667
BALA101
BHOH201
BHOH202
BHOH203
BHOH204
BHOH205
BHOH206
BHOH207
BHOH208
BHOH209
BHOH210
BHOH211
BHOH212
BHOH213
BHOH215
BHOH216
BHOH217
BHOH218
BHOH220
BHOH221
BHOH222
BHOH223

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues5
DetailsBINDING: BINDING => ECO:0000269|PubMed:14962386
ChainResidueDetails
ALYS36
ATYR103
AARG211
ATYR215
ATYR256

site_idSWS_FT_FI2
Number of Residues2
DetailsSITE: Important for catalytic activity => ECO:0000303|PubMed:12679335
ChainResidueDetails
AASP108
AGLU319

Catalytic Information from CSA
site_idMCSA1
Number of Residues6
DetailsM-CSA 781
ChainResidueDetails
ALYS36hydrogen bond donor, steric role
AASP108proton acceptor
AARG211hydrogen bond donor, steric role
APHE304pi-pi interaction, van der waals interaction
ALYS305electrostatic stabiliser, hydrogen bond donor
AGLU319hydrogen bond donor, proton acceptor, proton donor

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PDB entries from 2024-07-10

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