1S2V

crystal structure of phosphoenolpyruvate mutase complexed with mg(ii)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 252
  • Norm. En. per Res.: -4.9973
• 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	-75.7999	-74.5649	-281.158	-431.5229	98	18	8	10099	22	67	58
A-C	-8.2784	-25.9133	-157.855	-192.0467	68	3	0	6497	0	15	13
A-D	-95.6767	-161.909	-956.05	-1213.6357	249	48	37	39224	13	70	66
B-C	-107.0046	-161.1865	-991.116	-1259.3071	252	37	35	39989	13	72	69
B-D	-18.9647	-19.331	-153.829	-192.1247	72	11	0	6599	0	12	10
C-D	-73.9774	-88.6863	-286.859	-449.5226	101	14	8	10480	20	70	59

Interface residues

• A-B: ALA139A, ALA139B, ALA144A, ALA144B, ALA287A, ALA287B, ALA77A, ALA77B, ARG101A, ARG101B, ARG106A, ARG106B, ARG280A, ARG280B, ARG33A, ARG33B, ARG97A, ARG97B, ARG98A, ARG98B, ASN92A, ASN92B, ASN94A, ASN94B, ASN95A, ASN95B, ASP105A, ASP105B, ASP134A, ASP134B, ASP147A, ASP147B, ASP289A, ASP289B, ASP76A, ASP76B, CYS145A, CYS145B, GLN286A, GLN286B, GLU104A, GLU104B, GLU136A, GLU136B, GLU137A, GLU137B, GLU283A, GLU283B, GLU288A, GLU288B, GLU69A, GLU69B, GLU72A, GLU72B, GLY107A, GLY107B, ILE135A, ILE135B, ILE142A, ILE142B, LEU140A, LEU140B, LEU284A, LEU284B, LEU292A, LEU292B, LYS102A, LYS102B, LYS141A, LYS141B, LYS143A, LYS143B, LYS146A, LYS146B, LYS290A, LYS290B, PHE138A, PHE138B, PHE73A, PHE73B, PHE93A, PHE93B, PRO293A, PRO293B, SER148A, SER148B, SER75A, SER75B, THR65A, THR65B, TRP64A, TRP64B, TYR291A, TYR291B, VAL285A, VAL285B, VAL68A, VAL68B
• A-C: ALA133C, ALA62A, ALA62C, ALA96A, ARG101A, ARG106A, ARG106C, ARG57A, ARG57C, ARG97A, ARG97C, ARG98A, ARG98C, ASN122A, ASN60A, ASN60C, ASN92A, ASN92C, ASN94A, ASN94C, ASN95A, ASN95C, ASP134C, GLN66A, GLN66C, GLU137A, GLU137C, GLU61A, GLU61C, GLY55A, GLY55C, GLY91A, GLY91C, LEU117C, LEU140C, LEU54A, LEU54C, LYS102A, LYS102C, LYS120A, LYS120C, LYS141A, LYS141C, PHE118A, PHE118C, PHE93A, PHE93C, PRO119A, PRO119C, SER59A, SER59C, SER63A, SER63C, THR121A, THR65A, THR65C, THR88A, THR88C, TRP64A, TRP64C, TYR90A, TYR90C, VAL56A, VAL56C, VAL67A, VAL67C, VAL68A, VAL68C
• A-D: ALA238A, ALA238D, ALA244A, ALA244D, ALA248A, ALA248D, ALA26A, ALA26D, ALA287A, ALA287D, ALA32A, ALA32D, ALA38A, ALA38D, ALA52A, ALA52D, ALA62A, ALA62D, ALA77A, ALA77D, ARG228A, ARG228D, ARG243A, ARG243D, ARG277A, ARG277D, ARG280A, ARG280D, ARG33A, ARG33D, ARG57A, ARG57D, ASN122A, ASN239A, ASN239D, ASN241A, ASN241D, ASN264A, ASN264D, ASN28A, ASN28D, ASN60A, ASN60D, ASP19A, ASP225A, ASP225D, ASP258A, ASP258D, ASP259A, ASP259D, ASP267A, ASP267D, ASP281A, ASP281D, ASP282A, ASP282D, ASP289D, ASP58A, ASP58D, ASP76A, ASP76D, GLN250A, GLN250D, GLN251A, GLN251D, GLN255A, GLN255D, GLN260A, GLN260D, GLN279A, GLN279D, GLN286A, GLN286D, GLN36A, GLN36D, GLN53A, GLN53D, GLN66A, GLN66D, GLU21A, GLU21D, GLU25A, GLU25D, GLU266A, GLU266D, GLU274A, GLU274D, GLU283A, GLU283D, GLU288A, GLU288D, GLU37A, GLU37D, GLU61A, GLU61D, GLU69A, GLU69D, GLU72A, GLU72D, GLY29A, GLY29D, GLY39A, GLY39D, GLY42A, GLY42D, GLY47A, GLY47D, GLY55A, GLY55D, HIS240A, HIS240D, HIS27A, HIS27D, ILE236A, ILE236D, ILE23A, ILE23D, ILE249A, ILE249D, ILE256A, ILE256D, ILE269A, ILE269D, ILE275A, ILE275D, ILE34A, ILE34D, ILE43A, LEU20A, LEU20D, LEU242A, LEU242D, LEU262A, LEU262D, LEU278A, LEU278D, LEU284A, LEU284D, LEU292A, LEU292D, LEU30A, LEU30D, LEU48A, LEU48D, LEU54A, LEU54D, LYS120A, LYS192A, LYS192D, LYS218A, LYS218D, LYS221A, LYS221D, LYS254A, LYS254D, LYS268A, LYS268D, LYS273A, LYS273D, LYS294D, LYS41A, LYS41D, MET24A, MET24D, MET74A, MET74D, PHE227A, PHE227D, PHE22A, PHE22D, PHE276A, PHE276D, PHE40A, PHE40D, PHE73A, PHE73D, PRO119A, PRO119D, PRO216A, PRO216D, PRO223A, PRO223D, PRO293D, SER245A, SER245D, SER247A, SER247D, SER261A, SER261D, SER271A, SER271D, SER31A, SER31D, SER49A, SER49D, SER51A, SER51D, SER59A, SER59D, SER63A, SER63D, THR121A, THR217A, THR217D, THR222A, THR222D, THR224A, THR224D, THR252A, THR252D, THR253A, THR253D, THR65A, THR65D, TRP237A, TRP237D, TYR219A, TYR219D, TYR220A, TYR220D, TYR257A, TYR257D, TYR291D, VAL215A, VAL215D, VAL235A, VAL235D, VAL246A, VAL246D, VAL263A, VAL263D, VAL265A, VAL265D, VAL270A, VAL270D, VAL272A, VAL272D, VAL285A, VAL285D, VAL35A, VAL35D, VAL50A, VAL50D, VAL56A, VAL56D, VAL67A, VAL67D, VAL70A, VAL70D
• B-C: ALA238B, ALA238C, ALA244B, ALA244C, ALA248B, ALA248C, ALA26B, ALA26C, ALA287B, ALA287C, ALA32B, ALA32C, ALA38B, ALA38C, ALA52B, ALA52C, ALA62B, ALA62C, ALA77B, ALA77C, ARG228B, ARG228C, ARG243B, ARG243C, ARG277B, ARG277C, ARG280B, ARG280C, ARG33B, ARG33C, ARG57B, ARG57C, ASN122B, ASN239B, ASN239C, ASN241B, ASN241C, ASN264B, ASN264C, ASN28B, ASN28C, ASN60B, ASN60C, ASP225B, ASP225C, ASP258B, ASP258C, ASP259B, ASP259C, ASP267B, ASP267C, ASP281B, ASP281C, ASP282B, ASP282C, ASP289C, ASP58B, ASP58C, ASP76B, ASP76C, GLN250B, GLN250C, GLN251B, GLN251C, GLN255B, GLN255C, GLN260B, GLN260C, GLN279B, GLN279C, GLN286B, GLN286C, GLN36B, GLN36C, GLN53B, GLN53C, GLN66B, GLN66C, GLU21B, GLU21C, GLU25B, GLU25C, GLU266B, GLU266C, GLU274B, GLU274C, GLU283B, GLU283C, GLU288B, GLU288C, GLU37B, GLU37C, GLU61B, GLU61C, GLU69B, GLU69C, GLU72B, GLU72C, GLY29B, GLY29C, GLY39B, GLY39C, GLY42B, GLY42C, GLY47B, GLY47C, GLY55B, GLY55C, HIS240B, HIS240C, HIS27B, HIS27C, ILE236B, ILE236C, ILE23B, ILE23C, ILE249B, ILE249C, ILE256B, ILE256C, ILE269B, ILE269C, ILE275B, ILE275C, ILE34B, ILE34C, ILE43B, ILE43C, LEU20B, LEU20C, LEU242B, LEU242C, LEU262B, LEU262C, LEU278B, LEU278C, LEU284B, LEU284C, LEU292B, LEU292C, LEU30B, LEU30C, LEU48B, LEU48C, LEU54B, LEU54C, LYS120B, LYS120C, LYS192C, LYS218B, LYS218C, LYS221B, LYS221C, LYS254B, LYS254C, LYS268B, LYS268C, LYS273B, LYS273C, LYS290C, LYS294C, LYS41B, LYS41C, MET24B, MET24C, MET74B, MET74C, PHE227B, PHE227C, PHE22B, PHE22C, PHE276B, PHE276C, PHE40B, PHE40C, PHE73B, PHE73C, PRO119B, PRO119C, PRO216B, PRO216C, PRO223B, PRO223C, PRO293B, PRO293C, SER123B, SER245B, SER245C, SER247B, SER247C, SER261B, SER261C, SER271B, SER271C, SER31B, SER31C, SER49B, SER49C, SER51B, SER51C, SER59B, SER59C, SER63B, SER63C, THR121B, THR217B, THR217C, THR222B, THR222C, THR224B, THR224C, THR252B, THR252C, THR253B, THR253C, THR65B, THR65C, TRP237B, TRP237C, TYR219B, TYR219C, TYR220B, TYR220C, TYR257B, TYR257C, TYR291C, VAL215B, VAL215C, VAL235B, VAL235C, VAL246B, VAL246C, VAL263B, VAL263C, VAL265B, VAL265C, VAL270B, VAL270C, VAL272B, VAL272C, VAL285B, VAL285C, VAL35B, VAL35C, VAL50B, VAL50C, VAL56B, VAL56C, VAL67B, VAL67C, VAL70B, VAL70C
• B-D: ALA133D, ALA62B, ALA62D, ARG101B, ARG101D, ARG106B, ARG106D, ARG57B, ARG57D, ARG97B, ARG97D, ARG98B, ARG98D, ASN122B, ASN60B, ASN60D, ASN92B, ASN92D, ASN94B, ASN94D, ASN95B, ASN95D, ASP134D, GLN66B, GLN66D, GLU136D, GLU137B, GLU137D, GLU61B, GLU61D, GLY55B, GLY55D, GLY91B, GLY91D, LEU117B, LEU117D, LEU140D, LEU54B, LEU54D, LEU99D, LYS102B, LYS102D, LYS120B, LYS141B, LYS141D, PHE118B, PHE118D, PHE138D, PHE93B, PHE93D, PRO119B, PRO119D, SER123B, SER59B, SER59D, SER63B, SER63D, THR121B, THR65B, THR65D, THR88B, THR88D, TRP64B, TRP64D, TYR90B, TYR90D, VAL56B, VAL56D, VAL67B, VAL67D, VAL68B, VAL68D
• C-D: ALA139C, ALA139D, ALA144C, ALA144D, ALA182C, ALA287C, ALA287D, ALA77C, ARG101C, ARG101D, ARG106C, ARG106D, ARG280C, ARG280D, ARG33D, ARG97C, ARG97D, ARG98C, ARG98D, ASN92C, ASN92D, ASN94C, ASN94D, ASN95C, ASN95D, ASP105C, ASP105D, ASP134C, ASP134D, ASP147C, ASP147D, ASP289C, ASP289D, ASP76C, ASP76D, CYS145C, CYS145D, GLN286C, GLN286D, GLU104C, GLU104D, GLU136C, GLU136D, GLU137C, GLU137D, GLU283C, GLU283D, GLU288C, GLU288D, GLU69C, GLU69D, GLU72C, GLU72D, GLY107C, GLY107D, ILE135C, ILE135D, ILE142C, ILE142D, LEU140C, LEU140D, LEU284C, LEU284D, LEU292C, LEU292D, LYS102C, LYS102D, LYS141C, LYS141D, LYS143C, LYS143D, LYS146C, LYS146D, LYS290C, LYS290D, LYS294C, LYS294D, LYS4D, PHE138C, PHE138D, PHE73C, PHE73D, PHE93C, PHE93D, PRO293C, PRO293D, SER148C, SER148D, SER75C, SER75D, THR150C, THR65C, THR65D, TRP64C, TRP64D, TYR291C, TYR291D, VAL285C, VAL285D, VAL68C, VAL68D