3OVG

the crystal structure of an amidohydrolase from mycoplasma synoviae with zn ion bound

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 92
  • Norm. En. per Res.: -3.617
• Hub Node: A(4)

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	-58.19	-33.2623	-221.159	-312.6113	92	16	3	8781	5	31	41
A-D	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
A-E	-80.2854	-31.3794	-221.097	-332.7619	92	12	3	8829	5	30	41
A-F	-28.9023	24.2324	-258.026	-262.6959	106	13	6	10199	0	22	24
B-C	-29.313	19.5076	-225.216	-235.0215	104	13	6	9941	0	21	24
B-E	-52.8442	-31.0739	-219.944	-303.862	92	14	3	8809	5	31	40
B-F	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
C-D	-69.8721	-30.9725	-217.519	-318.3636	95	16	3	8822	5	31	40
C-F	-57.6384	-32.2591	-222.957	-312.8545	96	10	3	8884	5	31	40
D-E	-23.2897	23.3065	-267.942	-267.9252	104	13	6	10317	0	22	24
D-F	-62.302	-26.8657	-225.42	-314.5877	95	12	3	8881	4	31	41

Interface residues

• A-B: ALA102A, ALA160A, ALA193A, ALA252B, ARG163A, ARG242B, ARG275B, ARG280B, ARG299B, ASN218A, ASN254A, ASN281B, ASN351A, ASP162A, ASP220A, ASP241B, ASP248B, ASP298B, GLN188A, GLN289B, GLN306B, GLU165A, GLU195A, GLU225A, GLU230A, GLU253B, GLU342A, GLU345A, GLU349A, GLU55B, GLY157A, GLY159A, GLY190A, GLY283B, GLY287B, HIS199A, HIS214A, ILE161A, LEU164A, LEU166A, LEU169A, LEU189A, LEU194A, LEU215A, LEU250A, LEU250B, LEU251B, LEU277B, LEU284B, LEU303B, LEU346A, LEU350A, LEU352A, LYS103A, LYS107A, LYS198A, LYS217A, LYS221A, LYS226A, LYS229A, LYS244B, LYS261A, LYS286B, LYS288B, LYS348A, LYS51B, PHE291B, PHE300B, PRO219A, PRO247B, PRO302B, SER249B, THR156A, THR191A, THR285B, THR290B, TYR158A, TYR222A, TYR223A, TYR224A, TYR245A, TYR245B, TYR246A, TYR246B, TYR257A, TYR278B, TYR295B, VAL196A, VAL227A, VAL243B, VAL307B, VAL343A
• A-D: ILE39A, ILE39D
• A-E: ALA102E, ALA160E, ALA193E, ALA252A, ARG163E, ARG242A, ARG275A, ARG280A, ARG299A, ASN218E, ASN254E, ASN281A, ASN351E, ASP162E, ASP220E, ASP241A, ASP248A, ASP298A, GLN188E, GLN289A, GLN306A, GLU165E, GLU195E, GLU225E, GLU230E, GLU253A, GLU342E, GLU345E, GLU349E, GLU55A, GLY157E, GLY159E, GLY190E, GLY283A, GLY287A, HIS199E, HIS214E, ILE161E, LEU164E, LEU166E, LEU169E, LEU189E, LEU194E, LEU215E, LEU250A, LEU250E, LEU251A, LEU277A, LEU284A, LEU303A, LEU346E, LEU350E, LEU352E, LYS103E, LYS107E, LYS198E, LYS217E, LYS221E, LYS226E, LYS229E, LYS244A, LYS256A, LYS261E, LYS286A, LYS288A, LYS348E, PHE291A, PHE300A, PRO219E, PRO247A, PRO302A, SER249A, THR156E, THR191E, THR285A, THR290A, TYR158E, TYR222E, TYR223E, TYR224E, TYR245A, TYR245E, TYR246A, TYR246E, TYR257E, TYR278A, TYR295A, VAL196E, VAL227E, VAL243A, VAL307A, VAL343E
• A-F: ALA113A, ALA113F, ALA126A, ARG144A, ARG144F, ARG74A, ARG74F, ASN136A, ASN136F, ASN138A, ASN138F, ASN30A, ASN30F, ASN71A, ASN71F, ASP106A, ASP106F, ASP133A, ASP133F, ASP75A, ASP75F, CYS124A, CYS124F, GLU118A, GLU118F, GLU119A, GLU119F, GLU127A, GLU127F, GLU134A, GLU134F, GLU34A, GLU34F, GLU36A, GLU36F, GLY139A, GLY139F, GLY31A, GLY31F, GLY32A, GLY32F, GLY73A, GLY73F, ILE120A, ILE120F, ILE39A, ILE39F, LEU112A, LEU112F, LEU42A, LEU42F, LEU44A, LEU44F, LEU77A, LEU77F, LYS103A, LYS103F, LYS107A, LYS107F, LYS122A, LYS122F, LYS143A, LYS143F, LYS29A, LYS29F, LYS78A, LYS78F, PHE99A, PHE99F, PRO116A, PRO116F, PRO140A, PRO140F, PRO33A, PRO33F, PRO70A, PRO70F, SER109A, SER109F, SER110A, SER110F, THR117A, TRP111A, TRP111F, TYR105A, TYR105F, TYR108A, TYR108F, TYR135A, TYR135F, TYR137A, TYR137F, VAL114A, VAL114F, VAL115A, VAL115F, VAL121A, VAL121F, VAL141A, VAL141F, VAL142A, VAL142F, VAL35A, VAL35F, VAL72A, VAL72F
• B-C: ALA113B, ALA113C, ARG144B, ARG144C, ARG74B, ARG74C, ASN136B, ASN136C, ASN138B, ASN138C, ASN30B, ASN30C, ASN71B, ASN71C, ASP106B, ASP106C, ASP133B, ASP133C, ASP75B, ASP75C, CYS124B, CYS124C, GLU118B, GLU118C, GLU119B, GLU119C, GLU127B, GLU127C, GLU134B, GLU134C, GLU34B, GLU34C, GLU36B, GLU36C, GLY139B, GLY139C, GLY31B, GLY31C, GLY32B, GLY32C, GLY73B, GLY73C, ILE120B, ILE120C, ILE39B, ILE39C, LEU112B, LEU112C, LEU42B, LEU42C, LEU44B, LEU44C, LEU77B, LEU77C, LYS103B, LYS103C, LYS107B, LYS107C, LYS122B, LYS122C, LYS143B, LYS143C, LYS29B, LYS29C, LYS78B, LYS78C, PHE99B, PHE99C, PRO116B, PRO116C, PRO140B, PRO140C, PRO33B, PRO33C, PRO70B, PRO70C, SER109B, SER109C, SER110B, SER110C, TRP111B, TRP111C, TYR105B, TYR105C, TYR108B, TYR108C, TYR135B, TYR135C, TYR137B, TYR137C, VAL114B, VAL114C, VAL115B, VAL115C, VAL121B, VAL121C, VAL141B, VAL141C, VAL142B, VAL142C, VAL35B, VAL35C, VAL72B, VAL72C
• B-E: ALA102B, ALA160B, ALA193B, ALA252E, ARG163B, ARG242E, ARG275E, ARG280E, ARG299E, ASN218B, ASN254B, ASN281E, ASN351B, ASP162B, ASP220B, ASP241E, ASP248E, ASP298E, ASP40E, GLN188B, GLN289E, GLN306E, GLU165B, GLU195B, GLU225B, GLU230B, GLU253E, GLU342B, GLU345B, GLU349B, GLU55E, GLY157B, GLY159B, GLY190B, GLY283E, GLY287E, HIS199B, HIS214B, ILE161B, LEU164B, LEU166B, LEU169B, LEU189B, LEU194B, LEU215B, LEU250B, LEU250E, LEU251E, LEU277E, LEU284E, LEU303E, LEU346B, LEU350B, LEU352B, LYS103B, LYS107B, LYS198B, LYS217B, LYS221B, LYS226B, LYS229B, LYS244E, LYS261B, LYS286E, LYS288E, LYS348B, PHE291E, PHE300E, PRO219B, PRO247E, PRO302E, SER249E, THR156B, THR191B, THR285E, THR290E, TYR158B, TYR222B, TYR223B, TYR224B, TYR245B, TYR245E, TYR246B, TYR246E, TYR257B, TYR278E, TYR295E, VAL196B, VAL227B, VAL243E, VAL307E, VAL343B
• B-F: ILE39B, ILE39F
• C-D: ALA102D, ALA160D, ALA193D, ALA252C, ARG163D, ARG242C, ARG275C, ARG280C, ARG299C, ASN218D, ASN254D, ASN281C, ASN351D, ASP162D, ASP220D, ASP241C, ASP248C, ASP298C, GLN188D, GLN289C, GLN306C, GLU165D, GLU195D, GLU225D, GLU230D, GLU253C, GLU342D, GLU345D, GLU349D, GLU55C, GLY157D, GLY159D, GLY190D, GLY283C, GLY287C, GLY308C, HIS199D, HIS214D, ILE161D, LEU164D, LEU166D, LEU169D, LEU189D, LEU194D, LEU215D, LEU250C, LEU250D, LEU251C, LEU277C, LEU284C, LEU303C, LEU346D, LEU350D, LEU352D, LYS103D, LYS107D, LYS198D, LYS217D, LYS221D, LYS226D, LYS229D, LYS244C, LYS256C, LYS261D, LYS286C, LYS288C, LYS348D, LYS51C, PHE291C, PHE300C, PRO219D, PRO247C, PRO302C, SER249C, THR156D, THR187D, THR191D, THR285C, THR290C, TYR158D, TYR222D, TYR223D, TYR224D, TYR245C, TYR245D, TYR246C, TYR246D, TYR257D, TYR278C, TYR295C, VAL196D, VAL227D, VAL243C, VAL307C, VAL343D
• C-F: ALA102C, ALA160C, ALA193C, ALA252F, ARG163C, ARG242F, ARG275F, ARG280F, ARG299F, ASN218C, ASN254C, ASN281F, ASN351C, ASP162C, ASP220C, ASP241F, ASP248F, ASP298F, ASP40F, GLN188C, GLN289F, GLN306F, GLU165C, GLU195C, GLU225C, GLU230C, GLU253F, GLU342C, GLU345C, GLU349C, GLU55F, GLY157C, GLY159C, GLY190C, GLY283F, GLY287F, GLY308F, HIS199C, HIS214C, ILE161C, LEU164C, LEU166C, LEU169C, LEU189C, LEU194C, LEU215C, LEU250C, LEU250F, LEU251F, LEU277F, LEU284F, LEU303F, LEU346C, LEU350C, LEU352C, LYS103C, LYS107C, LYS198C, LYS217C, LYS221C, LYS226C, LYS229C, LYS244F, LYS256F, LYS261C, LYS286F, LYS288F, LYS348C, LYS51F, PHE291F, PHE300F, PRO219C, PRO247F, PRO302F, SER249F, THR156C, THR187C, THR191C, THR285F, THR290F, TYR158C, TYR222C, TYR223C, TYR224C, TYR245C, TYR245F, TYR246C, TYR246F, TYR257C, TYR278F, TYR295F, VAL196C, VAL227C, VAL243F, VAL307F, VAL343C
• D-E: ALA113D, ARG144D, ARG144E, ARG74D, ARG74E, ASN136D, ASN136E, ASN138D, ASN138E, ASN30D, ASN30E, ASN71D, ASN71E, ASP106D, ASP106E, ASP133D, ASP133E, ASP75D, ASP75E, CYS124D, CYS124E, GLU118D, GLU118E, GLU119D, GLU119E, GLU127D, GLU127E, GLU134D, GLU134E, GLU34D, GLU34E, GLU36D, GLU36E, GLY139D, GLY139E, GLY31D, GLY31E, GLY32D, GLY32E, GLY73D, GLY73E, ILE120D, ILE120E, ILE39D, ILE39E, LEU112D, LEU112E, LEU42D, LEU42E, LEU44D, LEU44E, LEU77D, LEU77E, LYS103D, LYS103E, LYS107D, LYS107E, LYS122D, LYS122E, LYS143D, LYS143E, LYS29D, LYS29E, LYS78D, LYS78E, PHE99D, PHE99E, PRO116D, PRO116E, PRO140D, PRO140E, PRO33D, PRO33E, PRO70D, PRO70E, SER109D, SER109E, SER110D, SER110E, THR117D, TRP111D, TRP111E, TYR105D, TYR105E, TYR108D, TYR108E, TYR135D, TYR135E, TYR137D, TYR137E, VAL114D, VAL114E, VAL115D, VAL115E, VAL121D, VAL121E, VAL141D, VAL141E, VAL142D, VAL142E, VAL35D, VAL35E, VAL72D, VAL72E
• D-F: ALA102F, ALA160F, ALA193F, ALA252D, ARG163F, ARG242D, ARG275D, ARG280D, ARG299D, ASN218F, ASN254F, ASN281D, ASN351F, ASP162F, ASP220F, ASP241D, ASP248D, ASP298D, GLN188F, GLN289D, GLN306D, GLU165F, GLU195F, GLU225F, GLU230F, GLU253D, GLU342F, GLU345F, GLU349F, GLU55D, GLY157F, GLY159F, GLY190F, GLY283D, GLY287D, GLY308D, HIS199F, HIS214F, ILE161F, LEU164F, LEU166F, LEU169F, LEU189F, LEU194F, LEU215F, LEU250D, LEU250F, LEU251D, LEU277D, LEU284D, LEU303D, LEU346F, LEU350F, LEU352F, LYS103F, LYS107F, LYS198F, LYS217F, LYS221F, LYS226F, LYS229F, LYS244D, LYS256D, LYS261F, LYS286D, LYS288D, LYS348F, LYS51D, PHE291D, PHE300D, PRO219F, PRO247D, PRO302D, SER249D, THR156F, THR187F, THR191F, THR285D, THR290D, TYR158F, TYR222F, TYR223F, TYR224F, TYR245D, TYR245F, TYR246D, TYR246F, TYR257F, TYR278D, TYR295D, VAL196F, VAL227F, VAL243D, VAL307D, VAL343F