3NYU

x-ray crystal structure of the wbpe (wlbe) aminotransferase from pseudomonas aeruginosa as the plp internal aldimine adduct with lysine 185

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 200
  • Norm. En. per Res.: -4.0994
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-158.2195	-41.6908	-619.966	-819.8763	200	25	19	24117	8	48	46
A-D	-39.2423	-15.8474	-167.279	-222.3688	87	2	7	7812	0	21	26
C-D	-152.4779	-41.1576	-615.63	-809.2655	205	33	21	24180	8	45	46

Interface residues

• A-B: ALA20B, ALA306A, ALA306B, ALA318A, ALA318B, ALA320A, ALA320B, ALA57A, ALA57B, ALA62A, ALA62B, ALA87A, ALA87B, ALA89A, ALA89B, ALA93A, ALA93B, ARG212A, ARG212B, ARG217A, ARG217B, ARG218A, ARG218B, ARG223A, ARG223B, ARG229A, ARG229B, ARG27A, ARG27B, ASN227A, ASN227B, ASN58A, ASN58B, ASP192A, ASP192B, ASP19A, ASP19B, ASP216A, ASP216B, ASP231A, ASP231B, ASP61A, ASP61B, CYS189A, CYS189B, GLN11A, GLN11B, GLN159A, GLN159B, GLN209B, GLN215A, GLN215B, GLN234A, GLN234B, GLN23A, GLN23B, GLN283A, GLN283B, GLN295A, GLN30A, GLN30B, GLN316A, GLN316B, GLN64A, GLN64B, GLU90A, GLU90B, GLY191A, GLY191B, GLY193A, GLY193B, GLY194A, GLY194B, GLY214A, GLY214B, GLY225A, GLY225B, GLY29A, GLY29B, GLY59A, GLY59B, GLY96A, GLY96B, HIS213A, HIS213B, HIS220A, HIS220B, HIS221A, HIS221B, HIS28A, HIS28B, HIS308A, HIS308B, ILE18A, ILE18B, ILE210A, ILE210B, ILE222A, ILE222B, ILE22A, ILE22B, ILE237A, ILE237B, ILE311A, ILE311B, ILE32A, ILE32B, ILE5A, ILE65A, ILE65B, LEU230A, LEU230B, LEU233A, LEU233B, LEU26A, LEU26B, LEU313A, LEU313B, LEU33A, LEU33B, LEU63A, LEU63B, LEU7A, LEU7B, LEU94A, LEU94B, LEU95A, LEU95B, LYS15A, LYS15B, LYS241A, LYS241B, LYS315A, LYS315B, LYS8A, LYS8B, MET1A, MET68A, MET68B, PHE181A, PHE181B, PHE182A, PHE182B, PHE4A, PHE4B, PRO183A, PRO183B, PRO310A, PRO310B, PRO312A, PRO312B, PRO317A, PRO317B, PRO74A, PRO74B, PRO99A, PRO99B, SER180A, SER180B, SER184A, SER184B, SER228A, SER228B, SER338B, THR232A, THR232B, THR305A, THR305B, THR60A, THR60B, THR84A, THR84B, THR88A, THR91A, THR91B, TYR190A, TYR190B, TYR219A, TYR219B, TYR309A, TYR309B, TYR31A, TYR31B, TYR85A, TYR85B, VAL224A, VAL224B, VAL226A, VAL226B, VAL25A, VAL25B, VAL307A, VAL307B, VAL319A, VAL319B, VAL72A, VAL86A, VAL86B, VAL92A, VAL92B
• A-D: ALA250A, ALA250D, ALA256A, ALA256D, ALA257A, ALA257D, ARG107A, ARG107D, ARG169A, ARG169D, ARG252A, ARG252D, ASN276A, ASN276D, ASN277A, ASN277D, ASP260A, ASP260D, GLN135A, GLN135D, GLN253A, GLN253D, GLN265A, GLN265D, GLU246A, GLU246D, GLU247A, GLU247D, GLU258A, GLU258D, GLU274A, GLU274D, GLY162A, GLY167A, GLY167D, GLY267A, GLY267D, GLY269A, GLY269D, ILE249A, ILE249D, ILE268A, ILE268D, ILE273A, ILE273D, ILE278A, ILE278D, LEU251A, LEU251D, LEU261A, LEU261D, LEU263A, LEU263D, LYS166A, LYS166D, LYS168A, LYS168D, LYS254A, LYS254D, LYS264A, LYS264D, LYS351A, LYS351D, PHE272A, PHE272D, PRO271A, PRO271D, SER164A, SER164D, SER262A, SER262D, SER279A, SER279D, THR270A, THR270D, THR347A, THR347D, TYR165A, TYR165D, TYR281A, TYR281D, TYR284A, VAL266A, VAL266D, VAL275A, VAL275D, VAL286D
• C-D: ALA20C, ALA20D, ALA306C, ALA306D, ALA318C, ALA318D, ALA320C, ALA320D, ALA57C, ALA57D, ALA62C, ALA62D, ALA87C, ALA87D, ALA89C, ALA89D, ALA93C, ALA93D, ARG212C, ARG212D, ARG217C, ARG217D, ARG218C, ARG218D, ARG223C, ARG223D, ARG229C, ARG229D, ARG27C, ARG27D, ASN227C, ASN227D, ASN58C, ASN58D, ASP16C, ASP16D, ASP192C, ASP192D, ASP19C, ASP19D, ASP216C, ASP216D, ASP231C, ASP231D, ASP61C, ASP61D, CYS189C, CYS189D, GLN10D, GLN11C, GLN11D, GLN159C, GLN159D, GLN209D, GLN215C, GLN215D, GLN234C, GLN234D, GLN23C, GLN23D, GLN283C, GLN283D, GLN30C, GLN30D, GLN316C, GLN316D, GLN64C, GLN64D, GLU3D, GLU90C, GLU90D, GLY191C, GLY191D, GLY193C, GLY193D, GLY194C, GLY194D, GLY214C, GLY214D, GLY225C, GLY225D, GLY29C, GLY29D, GLY59C, GLY59D, GLY96C, GLY96D, HIS213C, HIS213D, HIS220C, HIS220D, HIS221C, HIS221D, HIS28C, HIS28D, HIS308C, HIS308D, ILE18C, ILE18D, ILE210C, ILE210D, ILE222C, ILE222D, ILE22C, ILE22D, ILE237C, ILE237D, ILE311C, ILE311D, ILE32C, ILE32D, ILE5C, ILE5D, ILE65C, ILE65D, LEU132D, LEU230C, LEU230D, LEU233C, LEU233D, LEU26C, LEU26D, LEU313C, LEU313D, LEU33C, LEU33D, LEU63C, LEU63D, LEU7C, LEU7D, LEU94C, LEU94D, LEU95C, LEU95D, LYS15C, LYS15D, LYS241C, LYS241D, LYS315C, LYS315D, LYS8C, LYS8D, MET68C, MET68D, PHE181C, PHE181D, PHE182C, PHE182D, PHE4C, PHE4D, PRO183C, PRO183D, PRO310C, PRO310D, PRO312C, PRO312D, PRO317C, PRO317D, PRO74C, PRO74D, PRO99C, PRO99D, SER180C, SER180D, SER184C, SER184D, SER228C, SER228D, THR232C, THR232D, THR305C, THR305D, THR60C, THR60D, THR84C, THR84D, THR91C, THR91D, TYR133D, TYR190C, TYR190D, TYR219C, TYR219D, TYR309C, TYR309D, TYR31C, TYR31D, TYR85C, TYR85D, VAL224C, VAL224D, VAL226C, VAL226D, VAL25C, VAL25D, VAL307C, VAL307D, VAL319C, VAL319D, VAL72C, VAL72D, VAL86C, VAL86D, VAL92C, VAL92D