2PHD

crystal structure determination of a salicylate 1,2- dioxygenase from pseudaminobacter salicylatoxidans

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 161
  • Norm. En. per Res.: -4.999
• 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-C	-117.5437	-23.4914	-936.834	-1077.8691	287	46	35	39813	0	59	44
A-D	-123.2565	-129.0929	-532.421	-784.7704	166	37	19	21394	9	43	39
B-C	-153.5996	-136.06	-515.183	-804.8426	161	27	17	20778	11	44	38
B-D	-127.3647	-16.5951	-919.343	-1063.3028	288	48	35	39520	1	57	43

Interface residues

• A-C: ALA105A, ALA105C, ALA125A, ALA125C, ALA227A, ALA227C, ALA25A, ALA25C, ALA351A, ALA351C, ALA356A, ALA356C, ALA54A, ALA54C, ALA68A, ALA68C, ALA85A, ALA85C, ALA89A, ALA89C, ALA97A, ALA97C, ARG120A, ARG120C, ARG24A, ARG24C, ARG361A, ARG361C, ARG66A, ARG66C, ARG69A, ARG69C, ARG79A, ARG83A, ARG83C, ARG84A, ARG84C, ASN124A, ASN124C, ASN296A, ASN296C, ASN90A, ASN90C, ASN96A, ASN96C, ASP174A, ASP174C, ASP177A, ASP177C, ASP185A, ASP185C, ASP19A, ASP19C, ASP350A, ASP350C, ASP44A, ASP44C, GLN108A, GLN108C, GLN123A, GLN123C, GLN16C, GLN182A, GLN182C, GLN183A, GLN183C, GLN41A, GLN41C, GLU190A, GLU190C, GLU22A, GLU22C, GLU297A, GLU297C, GLU31A, GLU31C, GLU32A, GLU32C, GLU33A, GLU33C, GLU355A, GLU355C, GLU73A, GLU73C, GLU82A, GLU82C, GLY106A, GLY106C, GLY156A, GLY156C, GLY187A, GLY187C, GLY299A, GLY299C, GLY43A, GLY43C, GLY72A, GLY72C, GLY78A, GLY80A, GLY80C, GLY81A, GLY81C, GLY87A, GLY87C, GLY92A, GLY92C, GLY94A, GLY94C, GLY95A, GLY95C, HIS119A, HIS119C, HIS121A, HIS121C, HIS160A, HIS160C, HIS49A, HIS49C, HIS57A, HIS57C, ILE107A, ILE107C, ILE178A, ILE178C, ILE353A, ILE353C, ILE35A, ILE35C, ILE36A, ILE36C, ILE48A, ILE48C, ILE99A, ILE99C, LEU176A, LEU176C, LEU23A, LEU23C, LEU26A, LEU26C, LEU279A, LEU279C, LEU357A, LEU357C, LEU38A, LEU38C, LEU42A, LEU42C, LEU45A, LEU45C, LEU64A, LEU64C, LEU65A, LEU67A, LEU67C, LEU74A, LEU74C, LEU86A, LEU86C, LEU88A, LEU88C, LEU93A, LEU93C, LYS18A, LYS18C, LYS28A, LYS28C, LYS363A, LYS363C, LYS51A, LYS51C, LYS53A, LYS53C, LYS60A, LYS60C, LYS70A, LYS70C, MET103C, MET184A, MET184C, MET276A, MET276C, MET354A, MET354C, MET360A, MET360C, MET46A, MET46C, PHE180A, PHE180C, PHE188A, PHE188C, PHE189A, PHE189C, PHE191A, PHE191C, PHE30A, PHE30C, PHE359A, PHE359C, PRO101A, PRO101C, PRO179A, PRO179C, PRO17A, PRO17C, PRO21A, PRO21C, PRO277A, PRO277C, PRO330A, PRO330C, PRO352A, PRO352C, PRO37A, PRO37C, PRO47A, PRO47C, PRO50A, PRO50C, PRO76A, PRO76C, PRO91A, PRO91C, SER100A, SER100C, SER122A, SER122C, SER181A, SER181C, SER29A, SER29C, SER300A, SER300C, SER331A, SER331C, SER34A, SER34C, SER358A, SER358C, SER52A, SER52C, SER71A, SER71C, THR102A, THR102C, THR20A, THR20C, THR225A, THR278A, THR278C, THR362A, THR362C, THR40A, THR40C, THR63A, THR63C, TRP104A, TRP104C, TRP157A, TRP157C, TRP332A, TRP332C, TRP39A, TRP39C, TRP59A, TRP59C, TYR109A, TYR109C, TYR27A, TYR27C, TYR98A, TYR98C, VAL186A, VAL186C, VAL226A, VAL226C, VAL298A, VAL298C, VAL333A, VAL333C, VAL55A, VAL58A, VAL58C, VAL75A, VAL75C
• A-D: ALA200A, ALA200D, ALA232A, ALA232D, ALA241A, ALA241D, ALA255A, ALA255D, ALA258A, ALA258D, ALA262A, ALA262D, ALA263A, ALA263D, ARG206A, ARG206D, ARG209A, ARG209D, ARG217A, ARG217D, ARG234A, ARG234D, ARG240A, ARG240D, ARG265A, ARG265D, ARG280A, ARG280D, ARG285A, ARG285D, ARG295A, ARG295D, ARG347A, ARG347D, ASN140A, ASN224A, ASN224D, ASN268A, ASN268D, ASP142A, ASP142D, ASP198A, ASP239A, ASP239D, ASP250A, ASP250D, ASP274A, ASP274D, CYS212A, CYS212D, CYS281A, CYS281D, GLN245A, GLN245D, GLN253A, GLN253D, GLU208A, GLU208D, GLU236A, GLU236D, GLU244A, GLU244D, GLU249A, GLU249D, GLU251A, GLU251D, GLU282A, GLU282D, GLU355A, GLU355D, GLY141A, GLY141D, GLY207A, GLY207D, GLY215A, GLY215D, GLY221A, GLY221D, GLY252A, GLY252D, GLY272A, GLY272D, GLY273A, GLY273D, HIS213A, HIS213D, HIS261A, HIS261D, HIS284A, HIS284D, ILE230A, ILE230D, ILE264A, ILE264D, LEU151A, LEU151D, LEU210A, LEU210D, LEU216A, LEU216D, LEU219A, LEU219D, LEU222A, LEU222D, LEU242A, LEU242D, LEU246A, LEU246D, LEU247A, LEU247D, LEU248A, LEU248D, PHE204A, PHE204D, PHE237A, PHE237D, PHE283A, PHE283D, PHE303A, PHE303D, PRO143A, PRO143D, PRO202A, PRO202D, PRO214A, PRO214D, PRO218A, PRO218D, PRO229A, PRO229D, PRO254A, PRO254D, PRO269A, PRO269D, SER205A, SER205D, SER220A, SER220D, SER228A, SER228D, THR238A, THR238D, THR243A, THR243D, THR256A, THR256D, THR270A, THR270D, THR271A, THR271D, TRP211A, TRP211D, TRP235A, TRP235D, TRP335A, TRP335D, TYR233A, TYR233D, TYR266A, TYR266D, VAL257A, VAL257D, VAL267A, VAL267D, VAL275A, VAL275D
• B-C: ALA232B, ALA232C, ALA241B, ALA241C, ALA255B, ALA255C, ALA258B, ALA258C, ALA262B, ALA262C, ALA263B, ALA263C, ARG206B, ARG206C, ARG209B, ARG209C, ARG217B, ARG217C, ARG234B, ARG234C, ARG240B, ARG240C, ARG265B, ARG265C, ARG280B, ARG280C, ARG285B, ARG285C, ARG295B, ARG295C, ARG347B, ARG347C, ASN140B, ASN224B, ASN224C, ASN268B, ASN268C, ASP142B, ASP142C, ASP198B, ASP198C, ASP239B, ASP239C, ASP250B, ASP250C, ASP274B, ASP274C, CYS212B, CYS212C, CYS281B, CYS281C, GLN245B, GLN245C, GLN253B, GLN253C, GLU208B, GLU208C, GLU236B, GLU236C, GLU244B, GLU244C, GLU249B, GLU249C, GLU251B, GLU251C, GLU282B, GLU282C, GLU355B, GLU355C, GLY141B, GLY141C, GLY207B, GLY207C, GLY215B, GLY215C, GLY221B, GLY221C, GLY252C, GLY272B, GLY272C, GLY273B, GLY273C, HIS213B, HIS213C, HIS261B, HIS261C, HIS284B, HIS284C, ILE230B, ILE230C, ILE264B, ILE264C, LEU151B, LEU151C, LEU210B, LEU210C, LEU216B, LEU216C, LEU219B, LEU219C, LEU222B, LEU222C, LEU242B, LEU242C, LEU246B, LEU246C, LEU247B, LEU247C, LEU248B, LEU248C, PHE204B, PHE204C, PHE237B, PHE237C, PHE283B, PHE283C, PHE303C, PRO143B, PRO143C, PRO202B, PRO202C, PRO214B, PRO214C, PRO218B, PRO218C, PRO229B, PRO229C, PRO254B, PRO254C, PRO269B, PRO269C, SER205B, SER205C, SER220B, SER220C, SER228B, SER228C, THR238B, THR238C, THR243B, THR243C, THR256B, THR256C, THR270B, THR270C, THR271B, THR271C, TRP211B, TRP211C, TRP235B, TRP235C, TYR233B, TYR233C, TYR266B, TYR266C, VAL257B, VAL257C, VAL267B, VAL267C, VAL275B, VAL275C
• B-D: ALA105B, ALA105D, ALA125B, ALA125D, ALA227B, ALA227D, ALA25B, ALA25D, ALA351B, ALA351D, ALA356B, ALA356D, ALA54B, ALA54D, ALA68B, ALA68D, ALA85B, ALA85D, ALA89B, ALA89D, ALA97B, ALA97D, ARG120B, ARG120D, ARG24B, ARG24D, ARG361B, ARG361D, ARG66B, ARG66D, ARG69B, ARG69D, ARG79B, ARG79D, ARG83B, ARG83D, ARG84B, ARG84D, ASN124B, ASN124D, ASN296B, ASN296D, ASN90B, ASN90D, ASN96B, ASN96D, ASP174B, ASP174D, ASP177B, ASP177D, ASP185B, ASP185D, ASP19B, ASP350B, ASP350D, ASP44B, ASP44D, GLN108B, GLN108D, GLN123B, GLN123D, GLN16B, GLN16D, GLN182B, GLN182D, GLN183B, GLN183D, GLN41B, GLN41D, GLU190B, GLU190D, GLU22B, GLU22D, GLU297B, GLU297D, GLU31B, GLU31D, GLU32B, GLU32D, GLU33B, GLU33D, GLU355B, GLU355D, GLU73B, GLU73D, GLU82B, GLU82D, GLY106B, GLY106D, GLY156B, GLY156D, GLY187B, GLY187D, GLY299B, GLY299D, GLY43B, GLY43D, GLY72B, GLY72D, GLY78B, GLY78D, GLY80D, GLY81D, GLY87B, GLY87D, GLY92B, GLY92D, GLY94B, GLY94D, GLY95B, GLY95D, HIS119B, HIS119D, HIS121B, HIS121D, HIS160B, HIS160D, HIS49B, HIS49D, HIS57B, HIS57D, ILE107B, ILE107D, ILE178B, ILE178D, ILE353B, ILE353D, ILE35B, ILE35D, ILE36B, ILE36D, ILE48B, ILE48D, ILE99B, ILE99D, LEU176B, LEU176D, LEU23B, LEU23D, LEU26B, LEU26D, LEU279B, LEU279D, LEU357B, LEU357D, LEU38B, LEU38D, LEU42B, LEU42D, LEU45B, LEU45D, LEU64B, LEU64D, LEU65D, LEU67B, LEU67D, LEU74B, LEU74D, LEU86B, LEU86D, LEU88B, LEU88D, LEU93B, LEU93D, LYS18B, LYS18D, LYS28B, LYS28D, LYS363B, LYS363D, LYS51B, LYS51D, LYS53B, LYS53D, LYS60B, LYS60D, LYS70B, LYS70D, MET103D, MET15D, MET184B, MET184D, MET276B, MET276D, MET354B, MET354D, MET360B, MET360D, MET46B, MET46D, PHE180B, PHE180D, PHE188B, PHE188D, PHE189B, PHE189D, PHE191B, PHE191D, PHE30B, PHE30D, PHE359B, PHE359D, PRO101B, PRO101D, PRO179B, PRO179D, PRO17B, PRO17D, PRO21B, PRO21D, PRO277B, PRO277D, PRO330B, PRO330D, PRO352B, PRO352D, PRO37B, PRO37D, PRO47B, PRO47D, PRO50B, PRO50D, PRO76B, PRO76D, PRO91B, PRO91D, SER100B, SER100D, SER122B, SER122D, SER181B, SER181D, SER29B, SER29D, SER300B, SER300D, SER331B, SER331D, SER34B, SER34D, SER358B, SER358D, SER52B, SER52D, SER62D, SER71B, SER71D, THR102B, THR102D, THR20D, THR225B, THR278B, THR278D, THR362B, THR362D, THR40B, THR40D, THR63B, THR63D, TRP104B, TRP104D, TRP157B, TRP157D, TRP332B, TRP332D, TRP39B, TRP39D, TRP59B, TRP59D, TYR109B, TYR109D, TYR27B, TYR27D, TYR98B, TYR98D, VAL186B, VAL186D, VAL226B, VAL226D, VAL298B, VAL298D, VAL333B, VAL333D, VAL55B, VAL58B, VAL58D, VAL75B, VAL75D