3NZG

crystal structure of a putative racemase with mg ion

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 113
  • Norm. En. per Res.: -3.4577
• Hub Node: A(3)

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	-77.0638	-56.1477	-257.509	-390.7205	113	15	7	10719	2	22	23
A-C	-48.9827	-54.6434	-316.046	-419.6722	146	12	8	13384	4	68	66
A-D	-6.8758	-42.7987	-88.2226	-137.8971	62	9	0	3749	1	27	22
B-C	-11.9252	-47.0231	-95.3366	-154.2849	61	5	0	3713	1	28	23
B-D	-53.7018	-53.5656	-308.863	-416.1305	144	10	8	13014	4	69	66

Interface residues

• A-B: ALA118A, ALA118B, ALA126B, ALA306A, ALA306B, ALA331A, ALA331B, ALA371A, ALA371B, ALA85A, ALA85B, ALA89A, ALA89B, ALA8A, ALA8B, ARG269A, ARG269B, ARG298A, ARG298B, ARG299A, ARG299B, ARG78A, ARG78B, ASN134A, ASN134B, ASN307A, ASN307B, ASN6A, ASN6B, ASN84A, ASN84B, ASP88A, ASP88B, ASP92A, ASP92B, GLN121A, GLN121B, GLN128A, GLN128B, GLU273A, GLU273B, GLU302A, GLU302B, GLU82A, GLU82B, GLY119A, GLY119B, GLY123A, GLY123B, GLY131A, GLY131B, GLY132A, GLY132B, GLY373A, GLY373B, ILE81A, ILE81B, ILE83A, ILE83B, ILE86A, ILE86B, LEU122A, LEU122B, LEU129A, LEU129B, LEU130A, LEU130B, LEU5A, LEU5B, LEU79A, LEU79B, LYS120A, LYS120B, LYS135A, LYS135B, LYS368A, LYS368B, LYS74A, LYS74B, PHE270A, PHE270B, PHE330A, PHE330B, PRO125A, PRO125B, PRO369A, PRO369B, PRO372A, PRO372B, PRO7A, PRO7B, PRO80A, PRO80B, THR133A, THR133B, THR295A, THR295B, THR305A, THR305B, THR370A, THR370B, TRP87A, TRP87B, TYR115A, TYR115B, TYR127A, TYR127B, VAL124A, VAL124B, VAL332A, VAL332B, VAL9A, VAL9B
• A-C: ALA239A, ALA239C, ALA54A, ALA54C, ALA57A, ALA57C, ALA59A, ALA59C, ARG100A, ARG100C, ARG215A, ARG215C, ARG269A, ARG269C, ARG290A, ARG290C, ASN21A, ASN21C, ASN289A, ASN289C, ASN30A, ASN30C, ASN315A, ASN315C, ASN60A, ASN60C, ASN70A, ASN70C, ASP211A, ASP211C, ASP244A, ASP244C, ASP245A, ASP245C, ASP287A, ASP287C, ASP49A, ASP49C, ASP53A, ASP53C, ASP92A, ASP92C, CYS179C, GLN242A, GLN242C, GLN29A, GLN29C, GLN95A, GLN95C, GLN97A, GLN97C, GLU264A, GLU264C, GLU271A, GLU271C, GLU273A, GLU273C, GLU274A, GLU274C, GLU62A, GLU62C, GLU64A, GLU64C, GLY101A, GLY101C, GLY103A, GLY103C, GLY50A, GLY50C, GLY98A, GLY98C, HIS243A, HIS243C, HIS314A, HIS314C, HIS65A, HIS65C, ILE182A, ILE182C, ILE55A, ILE55C, ILE61A, ILE61C, LEU102A, LEU102C, LEU213A, LEU213C, LEU246A, LEU246C, LEU56A, LEU56C, LEU68A, LEU68C, LYS183A, LYS183C, LYS278A, LYS278C, LYS317A, LYS317C, LYS66A, LYS66C, LYS74A, PHE105A, PHE105C, PHE270A, PHE270C, PRO52A, PRO52C, SER247A, SER247C, SER266A, SER266C, SER28A, SER28C, SER51A, SER51C, THR267A, THR267C, THR268A, THR268C, THR277A, THR277C, THR63A, THR63C, THR69A, THR69C, TRP275A, TRP275C, TRP316A, TRP316C, TRP67A, TRP67C, TRP87A, TRP87C, TRP96A, TRP96C, TYR212A, TYR212C, TYR214A, TYR214C, TYR58A, TYR58C, TYR91A, TYR91C, VAL180A, VAL180C
• A-D: ALA223D, ALA237A, ALA250D, ALA304A, ALA306A, ALA335A, ARG199A, ARG224D, ARG257A, ARG257D, ARG259A, ASN227D, ASN255D, ASN307A, ASN308A, ASN334A, ASP205A, ASP207A, ASP218D, ASP231A, ASP245D, GLN310A, GLU221D, GLU230A, GLU230D, GLU233A, GLU254A, GLY248D, HIS204A, HIS249D, HIS282A, ILE229A, ILE260A, ILE276A, LEU226A, LEU232A, LEU234A, LEU241D, LEU246D, LEU252D, LYS189D, LYS251D, LYS278D, LYS280A, PHE236A, PRO336A, SER187D, SER228D, SER247D, SER258A, THR217D, THR256A, THR256D, THR277A, THR305A, TRP219D, TYR220D, TYR235A, VAL222D, VAL253A, VAL281A, VAL309A
• B-C: ALA223C, ALA237B, ALA250C, ALA304B, ALA306B, ALA335B, ARG199B, ARG224C, ARG257B, ARG257C, ARG259B, ASN227C, ASN255C, ASN307B, ASN308B, ASN334B, ASP205B, ASP207B, ASP218C, ASP231B, ASP245C, GLN310B, GLU221C, GLU230B, GLU230C, GLU233B, GLU254B, GLY248C, HIS204B, HIS249C, HIS282B, ILE229B, ILE260B, ILE276B, LEU232B, LEU234B, LEU241C, LEU246C, LEU252C, LYS189C, LYS251C, LYS278C, LYS280B, PHE236B, PRO336B, SER187C, SER228C, SER247C, SER258B, THR188C, THR217C, THR256B, THR256C, THR305B, TRP219C, TYR220C, TYR235B, VAL222C, VAL253B, VAL281B, VAL309B
• B-D: ALA239B, ALA239D, ALA54B, ALA54D, ALA57B, ALA57D, ALA59B, ALA59D, ARG100B, ARG100D, ARG215B, ARG215D, ARG269B, ARG269D, ARG290B, ARG290D, ASN21B, ASN21D, ASN289B, ASN289D, ASN30B, ASN30D, ASN315B, ASN315D, ASN60B, ASN60D, ASN70B, ASN70D, ASP211B, ASP211D, ASP244B, ASP244D, ASP245B, ASP245D, ASP287B, ASP287D, ASP49B, ASP49D, ASP53B, ASP53D, ASP92B, ASP92D, GLN242B, GLN242D, GLN29B, GLN29D, GLN95B, GLN95D, GLN97B, GLN97D, GLU264B, GLU264D, GLU271B, GLU271D, GLU273B, GLU273D, GLU274B, GLU274D, GLU62B, GLU62D, GLU64B, GLU64D, GLY101B, GLY101D, GLY103B, GLY103D, GLY50B, GLY50D, GLY98B, GLY98D, HIS243B, HIS243D, HIS314B, HIS314D, HIS65B, HIS65D, ILE182B, ILE182D, ILE55B, ILE55D, ILE61B, ILE61D, LEU102B, LEU102D, LEU213B, LEU213D, LEU246B, LEU246D, LEU56B, LEU56D, LEU68B, LEU68D, LYS183B, LYS183D, LYS278B, LYS278D, LYS317B, LYS317D, LYS66B, LYS66D, PHE105B, PHE105D, PHE270B, PHE270D, PRO52B, PRO52D, SER247B, SER247D, SER266B, SER266D, SER28B, SER28D, SER51B, SER51D, THR267B, THR267D, THR268B, THR268D, THR277B, THR277D, THR63B, THR63D, THR69B, THR69D, TRP275B, TRP275D, TRP316B, TRP316D, TRP67B, TRP67D, TRP87B, TRP87D, TRP96B, TRP96D, TYR212B, TYR212D, TYR214B, TYR214D, TYR58B, TYR58D, TYR91B, TYR91D, VAL180B, VAL180D