1SJB

x-ray structure of o-succinylbenzoate synthase complexed with o-succinylbenzoic acid

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 127
  • Norm. En. per Res.: -3.6716
• 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	-84.4509	-99.3288	-282.519	-466.2987	127	13	0	11047	10	88	54
A-C	0.0	0.0	-12.7422	-12.7422	32	0	0	992	0	9	6
B-C	-18.7979	-40.4634	-204.899	-264.1603	114	8	9	9915	9	53	53
B-D	0.0	0.0	-16.6749	-16.6749	29	0	0	1019	0	8	7
C-D	-59.0971	-101.9821	-280.226	-441.3052	128	12	0	11030	8	88	55

Interface residues

• A-B: ALA190B, ALA193A, ALA193B, ALA247A, ALA247B, ALA249A, ALA249B, ALA251A, ALA251B, ALA51A, ALA51B, ALA63A, ALA63B, ALA91A, ALA91B, ARG10A, ARG230A, ARG246A, ARG246B, ARG68A, ARG68B, ARG97A, ARG97B, ASN191A, ASN191B, ASN60A, ASN60B, ASP221A, ASP221B, ASP250A, ASP250B, ASP61A, ASP61B, GLN215A, GLN215B, GLU218A, GLU218B, GLU219A, GLU219B, GLU220A, GLU220B, GLU227A, GLU227B, GLU240A, GLU240B, GLU30A, GLU58A, GLU58B, GLU64A, GLU64B, GLY197A, GLY197B, GLY224A, GLY224B, GLY24A, GLY24B, GLY255A, GLY52A, GLY52B, GLY62A, GLY62B, GLY95A, GLY95B, HIS65A, HIS65B, HIS69A, HIS69B, HIS96A, HIS96B, ILE252A, ILE252B, LEU196A, LEU196B, LEU217A, LEU217B, LEU223A, LEU223B, LEU254A, LEU254B, LEU54A, LEU54B, LEU67A, LEU67B, LEU71A, LEU71B, LEU90A, LYS100A, LYS100B, LYS253A, LYS253B, LYS92A, LYS92B, LYS94A, LYS94B, MET50A, MET50B, PHE23A, PHE23B, PHE93A, PHE93B, PRO53A, PRO53B, SER22A, SER22B, SER241A, SER244A, SER244B, SER56A, SER56B, SER57A, SER57B, THR192A, THR192B, THR195A, THR195B, TYR55A, TYR55B, TYR59A, TYR59B, TYR70A, TYR70B, VAL222A, VAL222B, VAL243A, VAL243B, VAL66A, VAL66B
• A-C: ALA199A, ALA281C, ALA282C, ARG204A, ARG231A, ASN310C, ASP182C, ASP183C, ASP198A, ASP221A, CYS280C, GLN258C, GLU227A, GLY197A, GLY224A, GLY255C, GLY284C, HIS283C, ILE252C, ILE259C, ILE285C, LEU196A, LEU211C, LEU217A, LEU223A, LEU313C, PRO200A, PRO235C, PRO286C, THR195A, THR312C, VAL257C
• B-C: ALA114B, ALA114C, ALA120B, ALA120C, ALA121B, ALA121C, ALA245B, ALA245C, ALA247B, ALA247C, ALA248B, ALA248C, ALA249B, ALA249C, ALA281B, ALA281C, ALA282B, ALA282C, ALA83B, ALA83C, ALA84B, ALA84C, ARG113B, ARG113C, ARG117B, ARG117C, ARG127B, ARG127C, ARG246B, ARG246C, ARG274B, ARG274C, ARG275B, ARG275C, ASN310B, ASN310C, ASP128B, ASP128C, ASP250B, ASP250C, ASP278B, ASP278C, ASP80B, ASP80C, CYS280B, CYS280C, GLU111B, GLU111C, GLU116B, GLU116C, GLU122B, GLU122C, GLU272B, GLU272C, GLY124B, GLY124C, GLY284B, GLY284C, GLY346C, HIS115B, HIS115C, HIS277B, HIS277C, HIS283B, HIS283C, ILE252B, ILE252C, ILE285B, ILE285C, LEU108B, LEU108C, LEU112B, LEU112C, LEU123B, LEU123C, LEU271B, LEU271C, LEU308B, LEU308C, LEU89B, LEU89C, LYS253B, LYS253C, LYS85B, LYS85C, MET1B, PRO309B, PRO309C, PRO345B, PRO345C, PRO88B, PRO88C, SER118B, SER118C, SER125B, SER125C, SER129C, SER244B, SER244C, SER307C, THR343B, THR343C, THR82B, THR82C, THR87B, THR87C, VAL126B, VAL126C, VAL276B, VAL276C, VAL279B, VAL279C, VAL86B, VAL86C
• B-D: ALA199D, ALA282B, ARG204D, ARG231D, ASN310B, ASP183B, ASP198D, ASP221D, GLN258B, GLU227D, GLY197D, GLY224D, GLY255B, GLY284B, HIS283B, ILE252B, ILE259B, ILE285B, LEU196D, LEU211B, LEU217D, LEU223D, LEU313B, PRO200D, PRO235B, PRO286B, THR195D, THR312B, VAL257B
• C-D: ALA190C, ALA193C, ALA193D, ALA247C, ALA247D, ALA249C, ALA249D, ALA251C, ALA251D, ALA51C, ALA51D, ALA63C, ALA63D, ALA91C, ALA91D, ARG10D, ARG230C, ARG230D, ARG246C, ARG246D, ARG68C, ARG68D, ARG97C, ARG97D, ASN191C, ASN191D, ASN60C, ASN60D, ASP221C, ASP221D, ASP250C, ASP250D, ASP61C, ASP61D, GLN215C, GLN215D, GLU218C, GLU218D, GLU219C, GLU219D, GLU220C, GLU220D, GLU227C, GLU227D, GLU240C, GLU240D, GLU30D, GLU58C, GLU58D, GLU64C, GLU64D, GLY197C, GLY197D, GLY224C, GLY224D, GLY24C, GLY24D, GLY255C, GLY255D, GLY52C, GLY52D, GLY62C, GLY62D, GLY95C, GLY95D, HIS65C, HIS65D, HIS69C, HIS69D, HIS96C, HIS96D, ILE252C, ILE252D, LEU196C, LEU196D, LEU217C, LEU217D, LEU223C, LEU223D, LEU254C, LEU254D, LEU54C, LEU54D, LEU67C, LEU67D, LEU71C, LEU71D, LYS100C, LYS100D, LYS253C, LYS253D, LYS92C, LYS92D, LYS94C, LYS94D, MET50C, MET50D, PHE23C, PHE23D, PHE93C, PHE93D, PRO53C, PRO53D, SER22C, SER22D, SER244C, SER244D, SER56C, SER56D, SER57C, SER57D, THR192C, THR192D, THR195C, THR195D, TYR194D, TYR55C, TYR55D, TYR59C, TYR59D, TYR70C, TYR70D, VAL222C, VAL222D, VAL243C, VAL243D, VAL66C, VAL66D