Structure of PDB 4zxi Chain A

Receptor sequence

>4zxiA (length=1314) Species: 557600 (Acinetobacter baumannii AB307-0294)

GHMNNLARLEPEVLSRHAISSEQLGIWYIQRLEPTCSAYNMVVAFDVKVN
QSLGNKPIEILEAVMHDYPLLRVSMPANDQGIEQLIWDRVYPNIIFSDAR
HIEASDLTQLVEQDTKQPFDLTQPPLWRIHCYECGQNHYVIAFVIHHALM
DFWSIGLLLRDVSKRFGLVAESDAVNGIEFVQYADKQQSSVIDDTDESLI
FWKNALKHAPHVHSIPLDYPRPAVQQHKGSSLVFRVSESVSSGLVNLAKD
YEITLFGLVLSGFYVLLHKLSNENNLVIATPVAGRLERSLRNALGQFVNT
IAIHMDIDADQTLRQFTQQVQEQLRQSLKHQKIAFSRVVEAVSPKRDGSI
NPLAQIGMFWERLGGMDEFKELLLPIQTPATLVGQDLTLGSFPVRQQEGQ
LDITLEMGGEYQGELVGVLKYNTDLFSAQSAENMVQLLQAVLSEMVAHPE
RKIVELDIAPDYKDGIQFEALRGKATDYAQHDLFAMILKQIDERGDNHAL
TSHTVSYRELGQHIAGIAEYLRAHGITQGDRVGLMLDRTALLPAAILGIW
AAGAAYVPLDPNFPTERLQNIIEDAEPKVILTQTELMDGLNVSVPRLDIN
QAGVVALEQVRETLAFGDIAYVMYTSKPKGVRIGHPSIINFLLSMNDRLQ
VTTETQLLAITTYAFDISILELLIPLMYGGVVHVCPREVSQDGIQLVDYL
NAKSINVLQATPATWKMLLDSEWSGNAGLTALCGGEALDTILAEKLLGKV
GCLWNVYGPTETTVWSSAARITDAKYIDLGEPLANTQLYVLDEQQRLVPP
GVMGELWIGGDGLAVDYWQRPELTDAQFRTLPSLPNAGRLYRTGDKVCLR
TDGRLTHHGRLDFQVKIRGFRIELGEIENVLKQIDGITDAVVLVKTTGDN
DQKLVAYVTGQELDIAGLKKNLQIHLPAYMVPSAFIRLDEFPMTANKKLD
RKAFPEPIFEQSNDYVAPRDPIEIELCTTFEQILSVKRVGIHDDFFELGG
HSLLAVKLVNHLKKAFGTELSVALLAQYSTVERLGEIIRENKEIKPSIVI
ELRRGTYEQPLWLFHPIGGSTFCYMELSRHLNPNRTLRAIQSPGLIEADA
AEVAIEEMATLYIAEMQKMQPQGPYFLGGWCFGGAIAYEISRQLRQMGQQ
VTGIVMIDTRAPIPENVPEDADDAMLLSWFARDLAAPYGKKLTIPAQYLR
ELSPDQMFDHVLKEAKAINVLPLDADPSDFRLYFDTYLANGIALQTYFPE
PEDFPILLVKAKDEQEDFGESLGWDQLVKDTLTQVDLPGDHSSIMYAENV
VAVAQTIDQMYPIP

3D structure

• PDB: 4zxi Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
• Chain: A
• Resolution: 2.9 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): T625 V754 V869 F874
• Catalytic site (residue number reindexed from 1): T625 V750 V865 F870

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	PNS	A	G23 I27 Y37 T298 F333 S334 V337 R344 N349 S1006	G25 I29 Y39 T300 F335 S336 V339 R346 N351 S1002
BS02	GLY	A	F669 D670 G762 T764 V768	F665 D666 G758 T760 V764
BS03	AMP	A	S626 G739 E740 A741 V760 Y761 D849 H861 R864 K952	S626 G735 E736 A737 V756 Y757 D845 H857 R860 K948

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003824 catalytic activity
• GO:0031177 phosphopantetheine binding

Biological Process

• GO:0009058 biosynthetic process
• GO:0043041 amino acid activation for nonribosomal peptide biosynthetic process
• GO:0044550 secondary metabolite biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:4zxi, PDBe:4zxi, PDBj:4zxi
• PDBsum: 4zxi
• PubMed: 26762461
• UniProt: A0A0X1KH98