3O0D

crystal structure of lip2 lipase from yarrowia lipolytica at 1.7 a resolution

• Total interactions analyzed: 21
• Total true interactions: 11
• Strongest Interaction:
  • Chains: E-G
  • Int. Res.: 76
  • Norm. En. per Res.: -3.2531
• 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	-11.1496	-3.5716	-101.541	-116.2622	59	2	1	4308	0	11	20
A-C	-8.8682	-2.3946	-103.966	-115.2287	59	1	1	4277	0	11	20
A-F	-26.5407	11.7461	-113.316	-128.1106	91	4	4	5689	0	11	11
B-C	-10.7796	-1.4748	-102.273	-114.5274	59	2	1	4203	0	12	19
B-E	-30.3255	31.993	-124.512	-122.8445	95	2	4	6017	0	10	11
B-G	0.0	-3.3775	-63.848	-67.2255	46	1	0	3179	0	16	15
C-D	-32.4627	17.5757	-105.125	-120.0121	87	3	4	5504	0	10	10
D-E	-8.256	-1.2079	-102.26	-111.7239	60	5	1	4181	0	11	20
D-F	-3.3711	-9.1186	-96.4778	-108.9676	58	3	1	3977	0	11	20
E-F	-8.1106	-2.6625	-103.453	-114.226	60	3	1	4349	0	11	20
E-G	-25.1757	-88.5664	-133.491	-247.2331	76	3	1	5633	7	18	19

Interface residues

• A-B: ALA48B, ALA77B, ARG228A, ARG23B, ASN16B, ASN261A, ASN270A, ASN42B, ASN52B, ASP11A, ASP251A, ASP75B, CYS265A, CYS273A, CYS47B, GLN12A, GLN12B, GLN266A, GLN272A, GLN281A, GLN46B, GLN80B, GLU13A, GLU13B, GLU19B, GLU54B, GLU6A, GLY44B, HIS49B, HIS76B, HIS9A, ILE10A, LEU259A, LEU45B, LYS20B, LYS215A, LYS271A, LYS79B, MET264A, PHE249A, PHE50B, PRO253A, PRO257A, PRO258A, PRO40B, PRO51B, SER214A, SER260A, SER4A, SER78B, SER8A, THR5A, THR7A, TRP252A, TYR154B, TYR82B, VAL262A, VAL263A, VAL53B
• A-C: ALA48A, ALA77A, ARG228C, ARG23A, ASN16A, ASN261C, ASN270C, ASN42A, ASN52A, ASP11C, ASP251C, ASP75A, CYS265C, CYS273C, CYS47A, GLN12A, GLN12C, GLN266C, GLN272C, GLN281C, GLN46A, GLN80A, GLU13A, GLU13C, GLU19A, GLU54A, GLU6C, GLY44A, HIS49A, HIS76A, HIS9C, ILE10C, LEU259C, LEU45A, LYS20A, LYS215C, LYS271C, LYS79A, MET264C, PHE249C, PHE50A, PRO253C, PRO257C, PRO258C, PRO40A, PRO51A, SER214C, SER260C, SER4C, SER78A, SER8C, THR5C, THR7C, TRP252C, TYR154A, TYR82A, VAL262C, VAL263C, VAL53A
• A-F: ARG86A, ARG86F, ARG99A, ASN284A, ASN284F, ASN288A, ASN288F, ASP93A, ASP93F, CYS299A, CYS299F, CYS30A, CYS30F, CYS43A, CYS43F, GLN282A, GLN282F, GLN291A, GLN291F, GLU296A, GLU296F, GLU92A, GLU92F, GLY287A, GLY287F, GLY297A, GLY297F, GLY300A, GLY300F, GLY32A, GLY32F, GLY34A, GLY34F, GLY44A, GLY44F, GLY87A, HIS289A, HIS289F, HIS89A, HIS89F, ILE231A, ILE231F, ILE255A, ILE255F, ILE286A, ILE286F, ILE301A, ILE301F, ILE37A, ILE37F, ILE95A, LEU254A, LEU254F, LEU279A, LEU279F, LEU280A, LEU280F, LEU290A, LEU290F, LEU45A, LEU45F, LEU91A, LEU91F, LYS36A, LYS36F, PHE38A, PHE38F, PRO253A, PRO253F, PRO33A, PRO33F, SER90A, SER90F, THR295A, THR295F, THR35A, THR35F, THR88A, THR88F, THR96A, THR96F, TYR29A, TYR29F, VAL283A, VAL283F, VAL285A, VAL285F, VAL298A, VAL298F, VAL94A, VAL94F
• B-C: ALA48C, ALA77C, ARG228B, ARG23C, ASN16C, ASN261B, ASN270B, ASN42C, ASN52C, ASP11B, ASP251B, ASP75C, CYS265B, CYS273B, CYS47C, GLN12B, GLN12C, GLN266B, GLN272B, GLN281B, GLN46C, GLN80C, GLU13B, GLU13C, GLU19C, GLU54C, GLU6B, GLY44C, HIS49C, HIS76C, HIS9B, ILE10B, LEU259B, LEU45C, LYS20C, LYS215B, LYS271B, LYS79C, MET264B, PHE249B, PHE50C, PRO253B, PRO257B, PRO258B, PRO40C, PRO51C, SER214B, SER260B, SER4B, SER78C, SER8B, THR5B, THR7B, TRP252B, TYR154C, TYR82C, VAL262B, VAL263B, VAL53C
• B-E: ARG86B, ARG86E, ARG99B, ARG99E, ASN284B, ASN284E, ASN288B, ASN288E, ASN42B, ASN42E, ASP93B, ASP93E, CYS299B, CYS299E, CYS30B, CYS30E, CYS43B, CYS43E, GLN282B, GLN282E, GLN291B, GLN291E, GLU296B, GLU296E, GLU92B, GLU92E, GLY287B, GLY287E, GLY297B, GLY297E, GLY300B, GLY300E, GLY32B, GLY32E, GLY34B, GLY34E, GLY44B, GLY44E, GLY87B, HIS289B, HIS289E, HIS60E, HIS89B, HIS89E, ILE231B, ILE231E, ILE255B, ILE255E, ILE286B, ILE286E, ILE301B, ILE301E, ILE37B, ILE37E, LEU254B, LEU254E, LEU279B, LEU279E, LEU280B, LEU280E, LEU290B, LEU290E, LEU45B, LEU45E, LEU91B, LEU91E, LYS36B, LYS36E, PHE38B, PHE38E, PRO253B, PRO253E, PRO33B, PRO33E, PRO62E, SER90B, SER90E, THR295B, THR295E, THR35B, THR35E, THR88B, THR88E, THR96B, THR96E, TYR29B, TYR29E, VAL283B, VAL283E, VAL285B, VAL285E, VAL298B, VAL298E, VAL94B, VAL94E
• B-G: ALA103B, ARG63B, ARG63G, ASN127B, ASN134B, ASP61B, ASP61G, ASP67B, ASP93B, ASP97B, GLN131B, GLN139G, GLU57G, GLU58G, GLY128B, GLY32G, GLY34G, HIS126B, HIS60B, HIS60G, HIS89B, ILE100B, ILE140G, ILE65B, ILE65G, LEU110B, LEU64B, LEU64G, LYS143G, LYS36G, MET101B, PHE38G, PHE59G, PHE66B, PHE66G, PRO104B, PRO33B, PRO33G, PRO62B, PRO62G, SER90B, THR106B, THR35G, THR88B, VAL31G, VAL94B
• C-D: ARG86C, ARG99C, ARG99D, ASN284C, ASN284D, ASN288C, ASN288D, ASN42D, ASP93C, ASP93D, CYS299C, CYS299D, CYS30C, CYS30D, CYS43C, CYS43D, GLN282C, GLN282D, GLN291C, GLN291D, GLU296C, GLU296D, GLU92C, GLU92D, GLY287C, GLY287D, GLY297C, GLY297D, GLY300C, GLY300D, GLY34C, GLY34D, GLY44C, GLY44D, HIS289C, HIS289D, HIS89C, HIS89D, ILE231C, ILE231D, ILE255C, ILE255D, ILE286C, ILE286D, ILE301C, ILE301D, ILE37D, ILE95D, LEU254C, LEU254D, LEU279C, LEU279D, LEU280C, LEU280D, LEU290C, LEU290D, LEU45C, LEU45D, LEU91C, LEU91D, LYS36C, LYS36D, PHE38C, PHE38D, PRO253C, PRO253D, PRO33C, PRO33D, SER90C, SER90D, THR295C, THR295D, THR35C, THR35D, THR88C, THR88D, THR96C, THR96D, TYR29C, TYR29D, VAL283C, VAL283D, VAL285C, VAL285D, VAL298C, VAL298D, VAL94D
• D-E: ALA48E, ALA77E, ARG228D, ARG23E, ASN16E, ASN261D, ASN270D, ASN42E, ASN52E, ASP11D, ASP251D, ASP75E, CYS265D, CYS273D, CYS47E, GLN12D, GLN12E, GLN266D, GLN272D, GLN281D, GLN46E, GLN80E, GLU13D, GLU13E, GLU19E, GLU54E, GLU6D, GLY44E, HIS49E, HIS76E, HIS9D, ILE10D, LEU254D, LEU259D, LEU45E, LYS20E, LYS215D, LYS271D, LYS79E, MET264D, PHE249D, PHE50E, PRO253D, PRO257D, PRO258D, PRO40E, PRO51E, SER214D, SER260D, SER4D, SER78E, SER8D, THR5D, THR7D, TRP252D, TYR154E, TYR82E, VAL262D, VAL263D, VAL53E
• D-F: ALA48D, ALA77D, ARG228F, ARG23D, ASN16D, ASN261F, ASN270F, ASN52D, ASP11F, ASP153D, ASP251F, ASP75D, CYS265F, CYS273F, CYS47D, GLN12D, GLN12F, GLN266F, GLN272F, GLN46D, GLN80D, GLU13D, GLU13F, GLU19D, GLU54D, GLU6F, GLY44D, HIS49D, HIS76D, HIS9F, ILE10F, LEU259F, LEU45D, LYS20D, LYS215F, LYS79D, MET264F, PHE249F, PHE50D, PRO253F, PRO257F, PRO258F, PRO40D, PRO51D, SER214F, SER260F, SER4F, SER78D, SER8F, THR5F, THR7F, TRP252F, TYR151D, TYR154D, TYR82D, VAL262F, VAL263F, VAL53D
• E-F: ALA48F, ALA77F, ARG228E, ARG23F, ASN16F, ASN261E, ASN270E, ASN42F, ASN52F, ASP11E, ASP251E, ASP75F, CYS265E, CYS273E, CYS47F, GLN12E, GLN12F, GLN266E, GLN272E, GLN281E, GLN46F, GLN80F, GLU13E, GLU13F, GLU19F, GLU54F, GLU6E, GLY44F, HIS49F, HIS76F, HIS9E, ILE10E, ILE250E, LEU259E, LEU45F, LYS20F, LYS215E, LYS271E, LYS79F, MET264E, PHE249E, PHE50F, PRO253E, PRO257E, PRO258E, PRO40F, PRO51F, SER214E, SER260E, SER4E, SER78F, SER8E, THR5E, THR7E, TRP252E, TYR154F, TYR82F, VAL262E, VAL263E, VAL53F
• E-G: ALA103E, ALA103G, ARG63E, ARG63G, ARG99G, ASN107E, ASN107G, ASN127E, ASN127G, ASN134E, ASN134G, ASN135E, ASN135G, ASN138E, ASN138G, ASP61E, ASP61G, ASP67E, ASP67G, ASP93E, ASP93G, ASP97E, ASP97G, GLN102E, GLN102G, GLN131E, GLN131G, GLN139E, GLU92E, GLU92G, GLY128E, GLY128G, HIS126E, HIS126G, HIS89E, HIS89G, ILE100E, ILE100G, ILE130E, ILE130G, ILE286E, ILE65E, ILE65G, ILE95E, ILE98E, ILE98G, LEU105E, LEU105G, LEU110E, LEU110G, LEU64E, LEU64G, LEU91E, MET101E, MET101G, PHE66E, PHE66G, PRO104E, PRO104G, PRO62E, PRO62G, SER132E, SER132G, SER90E, SER90G, THR106E, THR106G, THR136E, THR96E, THR96G, TRP238E, VAL125E, VAL68E, VAL68G, VAL94E, VAL94G