3LM4

crystal structure of 2,3-dihydroxy biphenyl dioxygenase from rhodococcus sp. (strain rha1)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 86
  • Norm. En. per Res.: -5.929
• 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	-59.2168	-47.5221	-138.17	-244.9089	81	8	3	6508	2	25	34
A-C	-71.4803	-206.7285	-514.432	-792.6408	188	14	9	21009	14	70	70
A-D	-120.0567	-141.7361	-248.098	-509.8907	86	15	0	8573	15	46	29
B-C	-109.9974	-142.4489	-244.796	-497.2423	85	16	0	8660	16	46	30
B-D	-94.2378	-179.6634	-505.263	-779.1642	185	31	7	21040	11	74	71
C-D	-67.8218	-65.7978	-137.201	-270.8206	84	7	3	6421	5	26	34

Interface residues

• A-B: ALA231A, ALA231B, ALA244A, ALA244B, ALA297A, ALA297B, ALA301A, ALA301B, ARG236A, ARG236B, ASN228A, ASN228B, ASP230A, ASP230B, ASP237A, ASP237B, ASP247A, ASP247B, ASP293A, ASP293B, GLN226A, GLN226B, GLN253A, GLN253B, GLN255A, GLN255B, GLU233A, GLU233B, GLU243A, GLU243B, GLU272A, GLU272B, GLU306A, GLY225A, GLY225B, GLY245A, GLY245B, GLY250A, GLY250B, GLY295A, GLY295B, GLY299A, GLY299B, GLY300A, GLY300B, ILE229A, ILE229B, ILE242A, ILE242B, ILE292A, ILE292B, LEU257A, LEU257B, LEU296A, LEU296B, LEU303A, LEU303B, LYS248A, LYS248B, LYS302A, LYS302B, PHE235A, PHE235B, PHE256A, PHE256B, PRO246A, PRO246B, PRO304A, PRO304B, THR224B, THR294A, THR294B, TRP287B, TYR258A, TYR258B, VAL232A, VAL232B, VAL259A, VAL259B, VAL298A, VAL298B
• A-C: ALA123A, ALA123C, ALA12A, ALA12C, ALA273A, ALA273C, ALA282A, ALA282C, ALA79A, ALA79C, ALA9A, ALA9C, ARG139A, ARG139C, ARG152A, ARG152C, ARG181A, ARG181C, ARG47A, ARG47C, ARG5A, ARG5C, ARG73A, ARG73C, ARG82A, ARG82C, ASN196A, ASN196C, ASP154A, ASP154C, ASP279A, ASP279C, ASP281A, ASP281C, ASP291A, ASP291C, ASP293A, ASP293C, ASP3A, ASP3C, ASP51A, ASP51C, ASP7A, ASP7C, GLN226A, GLN226C, GLN253A, GLN253C, GLN255A, GLN255C, GLN288A, GLN288C, GLU122A, GLU122C, GLU124A, GLU124C, GLU180A, GLU180C, GLU201A, GLU201C, GLU272A, GLU272C, GLU283A, GLU283C, GLU50A, GLU50C, GLU78A, GLU78C, GLY199A, GLY199C, GLY223A, GLY223C, GLY225A, GLY225C, GLY250A, GLY250C, GLY271A, GLY271C, GLY274A, GLY274C, GLY295A, GLY295C, HIS10A, HIS10C, HIS227A, HIS227C, HIS249A, HIS249C, HIS277A, HIS277C, ILE136A, ILE136C, ILE153A, ILE153C, ILE251A, ILE251C, ILE292A, ILE292C, ILE8A, ILE8C, LEU11A, LEU11C, LEU120A, LEU120C, LEU137A, LEU137C, LEU197A, LEU197C, LEU198A, LEU198C, LEU276A, LEU276C, LEU278A, LEU278C, LYS125A, LYS125C, LYS135A, LYS135C, LYS142A, LYS143A, LYS151A, LYS151C, LYS248A, LYS248C, LYS285A, LYS285C, PHE221A, PHE221C, PHE270A, PHE270C, PHE6A, PHE6C, PRO140A, PRO140C, PRO280A, PRO280C, PRO52A, PRO52C, PRO77A, PRO77C, SER134A, SER134C, SER194A, SER194C, SER195A, SER195C, SER254A, SER254C, SER75A, SER75C, SER76A, SER76C, THR138A, THR138C, THR179A, THR179C, THR224A, THR224C, THR252A, THR252C, THR284A, THR284C, THR286A, THR286C, THR294A, THR294C, THR74A, THR74C, TRP121A, TRP121C, TRP287A, TRP287C, TYR126A, TYR126C, TYR222A, TYR222C, TYR275A, TYR275C, TYR49A, TYR49C, TYR53A, TYR53C, VAL127A, VAL127C, VAL182A, VAL182C, VAL298A, VAL298C
• A-D: ALA231A, ALA231D, ARG133A, ARG133D, ARG139A, ARG139D, ARG236A, ARG236D, ASN228A, ASN228D, ASP230A, ASP230D, ASP237A, ASP237D, ASP239A, ASP239D, ASP26A, ASP26D, GLN146A, GLN146D, GLN226A, GLN226D, GLU131A, GLU131D, GLU233A, GLU233D, GLU50A, GLU50D, GLY147A, GLY147D, GLY223A, GLY223D, GLY225A, GLY225D, GLY33A, GLY33D, HIS227A, HIS227D, ILE136A, ILE136D, ILE148A, ILE148D, ILE229A, ILE229D, ILE240A, ILE240D, ILE242A, LEU132A, LEU132D, LEU145A, LEU145D, LEU32A, LEU32D, LYS135A, LYS135D, LYS142A, LYS142D, LYS143A, LYS143D, LYS151A, LYS151D, LYS30A, LYS30D, PHE235A, PHE235D, PHE31A, PHE31D, PRO144A, PRO144D, PRO149A, PRO149D, SER134A, SER134D, SER141A, SER141D, THR224A, THR224D, THR29A, THR29D, TYR222D, TYR238A, TYR238D, TYR35A, TYR35D, TYR49A, TYR49D
• B-C: ALA231B, ALA231C, ARG133B, ARG133C, ARG139B, ARG139C, ARG236B, ARG236C, ASN228B, ASN228C, ASP230B, ASP230C, ASP237B, ASP237C, ASP239B, ASP239C, ASP26B, ASP26C, GLN146B, GLN146C, GLN226B, GLN226C, GLU131B, GLU131C, GLU233B, GLU233C, GLU50B, GLU50C, GLY147B, GLY147C, GLY223B, GLY223C, GLY225B, GLY225C, GLY33B, GLY33C, HIS227B, HIS227C, ILE136B, ILE136C, ILE148B, ILE148C, ILE229B, ILE229C, ILE240B, ILE240C, LEU132B, LEU132C, LEU145B, LEU145C, LEU32B, LEU32C, LYS135B, LYS135C, LYS142B, LYS142C, LYS143B, LYS143C, LYS151B, LYS151C, LYS30B, LYS30C, PHE235B, PHE235C, PHE31B, PHE31C, PRO144B, PRO144C, PRO149B, PRO149C, SER134B, SER134C, SER141B, SER141C, THR224B, THR224C, THR29B, THR29C, TYR222B, TYR238B, TYR238C, TYR35B, TYR35C, TYR49B, TYR49C
• B-D: ALA123B, ALA123D, ALA12B, ALA12D, ALA273B, ALA273D, ALA282B, ALA282D, ALA79B, ALA79D, ALA9B, ALA9D, ARG139B, ARG139D, ARG152B, ARG152D, ARG181B, ARG181D, ARG47B, ARG47D, ARG5B, ARG5D, ARG73B, ARG73D, ARG82B, ARG82D, ASN196B, ASN196D, ASP154B, ASP154D, ASP279B, ASP279D, ASP281B, ASP281D, ASP291B, ASP291D, ASP293B, ASP293D, ASP3B, ASP3D, ASP51B, ASP51D, ASP7B, ASP7D, GLN226B, GLN226D, GLN253B, GLN253D, GLN255B, GLN255D, GLN288B, GLN288D, GLU122B, GLU122D, GLU124B, GLU180B, GLU180D, GLU201B, GLU201D, GLU272B, GLU272D, GLU283B, GLU283D, GLU50B, GLU50D, GLU78B, GLY199B, GLY199D, GLY223B, GLY223D, GLY225B, GLY225D, GLY250B, GLY250D, GLY271B, GLY271D, GLY274B, GLY274D, GLY295B, GLY295D, HIS10B, HIS10D, HIS227B, HIS227D, HIS249B, HIS249D, HIS277B, HIS277D, ILE136B, ILE136D, ILE153B, ILE153D, ILE251B, ILE251D, ILE292B, ILE292D, ILE8B, ILE8D, LEU11B, LEU11D, LEU120B, LEU120D, LEU137B, LEU137D, LEU197B, LEU197D, LEU198B, LEU198D, LEU276B, LEU276D, LEU278B, LEU278D, LYS125B, LYS125D, LYS135B, LYS135D, LYS151B, LYS151D, LYS248B, LYS248D, LYS285B, LYS285D, PHE221B, PHE221D, PHE270B, PHE270D, PHE6B, PHE6D, PRO140B, PRO140D, PRO280B, PRO280D, PRO52B, PRO52D, PRO77B, PRO77D, SER134B, SER134D, SER194B, SER194D, SER195B, SER195D, SER1D, SER254B, SER254D, SER75B, SER75D, SER76B, SER76D, THR138B, THR138D, THR179B, THR179D, THR224B, THR224D, THR252B, THR252D, THR284B, THR284D, THR286B, THR286D, THR294B, THR294D, THR74B, THR74D, TRP121B, TRP121D, TRP287B, TRP287D, TYR126B, TYR126D, TYR222B, TYR222D, TYR275B, TYR275D, TYR49B, TYR49D, TYR53B, TYR53D, VAL127B, VAL127D, VAL182B, VAL182D, VAL298B, VAL298D
• C-D: ALA231C, ALA231D, ALA244C, ALA244D, ALA297C, ALA297D, ALA301C, ALA301D, ARG236C, ARG236D, ASN228C, ASN228D, ASP230C, ASP230D, ASP237C, ASP237D, ASP247C, ASP247D, ASP293C, ASP293D, GLN226C, GLN226D, GLN241D, GLN253C, GLN253D, GLN255C, GLN255D, GLU233C, GLU233D, GLU243C, GLU243D, GLU272C, GLU272D, GLU306C, GLY225C, GLY225D, GLY245C, GLY245D, GLY250C, GLY250D, GLY295C, GLY295D, GLY299C, GLY299D, GLY300C, GLY300D, ILE229C, ILE229D, ILE242C, ILE242D, ILE292C, ILE292D, LEU257C, LEU257D, LEU296C, LEU296D, LEU303C, LEU303D, LYS248C, LYS248D, LYS302C, LYS302D, PHE235C, PHE235D, PHE256C, PHE256D, PRO246C, PRO246D, PRO304C, PRO304D, THR224C, THR224D, THR294C, THR294D, TRP287C, TRP287D, TYR258C, TYR258D, VAL232C, VAL232D, VAL259C, VAL259D, VAL298C, VAL298D