Nickel in PDB 2jih: Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form)

The structure of Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form), PDB code: 2jih was solved by S.Gerhardt, G.Hassall, P.Hawtin, E.Mccall, L.Flavell, C.Minshull, D.Hargreaves, A.Ting, R.A.Pauptit, A.E.Parker, W.M.Abbott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.90 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.579, 64.396, 113.524, 90.00, 90.91, 90.00
R / Rfree (%)	22.4 / 28.2

The structure of Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form) also contains other interesting chemical elements:

Magnesium	(Mg)	6 atoms
Zinc	(Zn)	2 atoms
Cadmium	(Cd)	6 atoms
Sodium	(Na)	5 atoms

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>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Nickel atom in the Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form) (pdb code 2jih). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 12 binding sites of Nickel where determined in the Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form), PDB code: 2jih:
Jump to Nickel binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Nickel binding site 1 out of 12 in the Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1556 b:44.1 occ:1.00 O B:HOH2010 2.2 34.7 1.0 O B:HOH2028 2.3 34.2 1.0 NE2 B:HIS313 2.4 44.7 1.0 OE1 A:GLU494 2.6 48.5 1.0 OE2 A:GLU494 2.8 49.3 1.0 CD A:GLU494 3.0 48.1 1.0 CD2 B:HIS313 3.0 46.0 1.0 O B:HOH2022 3.0 38.7 1.0 CE1 B:HIS313 3.5 45.7 1.0 CG B:HIS313 4.3 45.5 1.0 O B:GLY275 4.3 35.3 1.0 CG A:GLU494 4.4 44.6 1.0 C B:GLY275 4.5 35.7 1.0 ND1 B:HIS313 4.5 45.4 1.0 CB B:ALA271 4.6 36.3 1.0 CA B:GLY275 4.9 35.2 1.0 O B:ALA271 4.9 37.1 1.0

Nickel binding site 2 out of 12 in the Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1559 b:71.0 occ:1.00 O A:HOH2025 2.4 46.7 1.0 OE2 A:GLU320 2.5 42.2 1.0 OE1 A:GLU320 2.7 41.5 1.0 O A:HOH2024 2.9 39.2 1.0 CD A:GLU320 2.9 42.0 1.0 CD A:CD1555 3.7 45.4 1.0 O A:HOH2026 4.0 35.2 1.0 O A:HOH2027 4.1 38.5 1.0 OE1 A:GLU315 4.4 38.4 1.0 CG A:GLU320 4.4 40.9 1.0 CD A:GLU315 4.8 41.4 1.0

Nickel binding site 3 out of 12 in the Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1561 b:50.8 occ:1.00 O A:HOH2064 2.3 35.5 1.0 NE2 A:HIS428 2.4 38.8 1.0 CE1 A:HIS428 3.3 37.1 1.0 CD2 A:HIS428 3.4 38.6 1.0 OG A:SER427 4.1 46.1 1.0 ND1 A:HIS428 4.5 38.0 1.0 CG A:HIS428 4.6 39.6 1.0 CD A:PRO445 4.7 40.6 1.0

Nickel binding site 4 out of 12 in the Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1562 b:68.2 occ:1.00 OD1 A:ASP495 2.7 47.6 1.0 OE2 A:GLU494 3.2 49.3 1.0 CG A:ASP495 3.5 45.1 1.0 OD2 A:ASP495 3.6 48.9 1.0 CE1 B:HIS313 3.6 45.7 1.0 O B:HOH2031 3.7 52.8 1.0 NZ B:LYS279 4.0 42.9 1.0 CD A:GLU494 4.1 48.1 1.0 CG A:GLU494 4.2 44.6 1.0 ND1 B:HIS313 4.4 45.4 1.0 NE2 B:HIS313 4.5 44.7 1.0 O B:HOH2021 4.7 35.6 1.0 CB A:ASP495 4.9 43.6 1.0 CE B:LYS279 4.9 41.2 1.0

Nickel binding site 5 out of 12 in the Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 5 of Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1563 b:43.1 occ:1.00 O A:HOH2100 2.5 45.2 1.0 ND1 A:HIS498 2.6 45.7 1.0 CE1 A:HIS498 3.4 47.5 1.0 CG A:HIS498 3.6 43.0 1.0 CB A:HIS498 3.9 41.0 1.0 CB A:ALA484 4.4 30.0 1.0 O B:HOH2066 4.5 36.2 1.0 OE1 B:GLN472 4.5 47.0 1.0 O A:HOH2091 4.6 36.5 1.0 NE2 A:HIS498 4.6 46.7 1.0 CD2 A:HIS498 4.7 45.3 1.0 OD1 A:ASN485 4.9 33.1 1.0

Nickel binding site 6 out of 12 in the Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 6 of Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1564 b:53.9 occ:1.00 O A:HOH2104 2.4 36.1 1.0 O A:HOH2073 2.5 30.1 1.0 NE2 A:HIS525 2.7 39.9 1.0 CD2 A:HIS525 3.2 39.6 1.0 CE1 A:HIS525 3.8 39.9 1.0 O A:THR523 4.2 34.9 1.0 CG A:HIS525 4.5 37.7 1.0 ND1 A:HIS525 4.8 37.5 1.0

Nickel binding site 7 out of 12 in the Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 7 of Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1568 b:42.2 occ:1.00 NE2 A:HIS439 2.2 46.6 1.0 O A:HOH2069 2.5 34.2 1.0 CD2 A:HIS439 3.1 46.5 1.0 CE1 A:HIS439 3.2 46.6 1.0 O A:LEU437 4.1 50.6 1.0 O A:HOH2076 4.1 36.7 1.0 O A:ASN542 4.3 34.9 1.0 CG A:HIS439 4.3 46.3 1.0 ND1 A:HIS439 4.3 45.5 1.0 C A:ASN542 4.6 35.8 1.0 N A:LEU437 4.6 50.6 1.0 CG A:ASN436 4.7 53.7 1.0 ND2 A:ASN436 4.9 56.3 1.0 OD1 A:ASN436 4.9 54.4 1.0 CB A:ASN436 4.9 52.2 1.0

Nickel binding site 8 out of 12 in the Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 8 of Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni1556 b:53.5 occ:1.00 OD1 B:ASP495 2.6 37.2 1.0 OE1 B:GLU494 2.6 46.6 1.0 CE1 A:HIS313 3.2 32.4 1.0 CD B:GLU494 3.4 44.5 1.0 CG B:ASP495 3.5 36.8 1.0 OD2 B:ASP495 3.6 33.4 1.0 OE2 B:GLU494 3.8 49.2 1.0 ND1 A:HIS313 4.0 31.8 1.0 NE2 A:HIS313 4.1 33.2 1.0 NZ A:LYS279 4.2 41.2 1.0 O B:HOH2074 4.4 48.3 1.0 CG B:GLU494 4.6 40.4 1.0 O A:HOH2019 4.8 33.3 1.0 CB B:ASP495 4.8 35.9 1.0 CE A:LYS279 4.9 40.6 1.0 CB B:GLU494 5.0 38.2 1.0

Nickel binding site 9 out of 12 in the Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 9 of Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni1558 b:26.8 occ:1.00 O B:HOH2061 2.1 30.1 1.0 OD1 B:ASP465 2.2 40.4 1.0 OE1 B:GLU261 2.2 38.5 1.0 OD2 B:ASP351 2.2 34.6 1.0 OD2 B:ASP344 2.3 44.5 1.0 O B:CYS462 2.3 34.4 1.0 OD1 B:ASP351 2.7 38.8 1.0 CG B:ASP351 2.8 37.0 1.0 CG B:ASP465 3.3 41.9 1.0 CD B:GLU261 3.3 36.3 1.0 CG B:ASP344 3.3 50.3 1.0 C B:CYS462 3.6 34.2 1.0 OD1 B:ASP344 3.6 44.6 1.0 OD2 B:ASP465 3.6 42.5 1.0 CG B:GLU261 4.0 35.7 1.0 CD B:CD1557 4.0 43.4 1.0 O B:ASP465 4.1 43.1 1.0 O B:TYR259 4.1 39.6 1.0 OE2 B:GLU261 4.2 34.9 1.0 CA B:LEU463 4.2 35.3 1.0 CB B:GLU261 4.3 35.5 1.0 CB B:ASP351 4.3 37.8 1.0 N B:LEU463 4.4 34.7 1.0 CB B:ASP465 4.6 41.9 1.0 CA B:CYS462 4.6 33.8 1.0 C B:LEU463 4.7 36.0 1.0 N B:ASP465 4.7 40.3 1.0 CB B:ASP344 4.7 51.0 1.0 CB B:CYS462 4.8 33.9 1.0 C B:ASP465 4.9 42.7 1.0 CA B:ASP465 4.9 41.7 1.0

Nickel binding site 10 out of 12 in the Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 10 of Crystal Structure of Human Adamts-1 Catalytic Domain and Cysteine- Rich Domain (Complex-Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni1559 b:38.9 occ:1.00 OE2 B:GLU494 1.9 49.2 1.0 NE2 A:HIS313 2.1 33.2 1.0 O A:HOH2009 2.3 46.6 1.0 CD2 A:HIS313 2.8 32.1 1.0 CD B:GLU494 2.9 44.5 1.0 CE1 A:HIS313 3.3 32.4 1.0 O A:HOH2005 3.5 41.9 1.0 OE1 B:GLU494 3.6 46.6 1.0 CG B:GLU494 3.8 40.4 1.0 O B:HOH2074 3.9 48.3 1.0 CG A:HIS313 4.1 36.0 1.0 O B:HOH2007 4.1 35.1 1.0 O A:GLY275 4.3 34.5 1.0 ND1 A:HIS313 4.3 31.8 1.0 O A:ALA271 4.4 36.0 1.0 CB A:ALA271 4.5 34.8 1.0 C A:GLY275 4.6 35.3 1.0 CA A:GLY275 4.9 35.0 1.0 CB B:GLU494 4.9 38.2 1.0 CA A:ALA271 4.9 34.9 1.0

S.Gerhardt, G.Hassall, P.Hawtin, E.Mccall, L.Flavell, C.Minshull, D.Hargreaves, A.Ting, R.A.Pauptit, A.E.Parker, W.M.Abbott. Crystal Structures of Human Adamts-1 Reveal A Conserved Catalytic Domain and A Disintegrin-Like Domain with A Fold Homologous to Cysteine-Rich Domains. J. Mol. Biol. V. 373 891 2007.
ISSN: ISSN 0022-2836
PubMed: 17897672
DOI: 10.1016/J.JMB.2007.07.047